data_5ldl_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 5ldl _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.83 0.348 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -55.3 -41.07 71.87 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.118 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -65.01 -36.75 85.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.36 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.85 -34.71 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.249 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.93 -59.77 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.149 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -53.7 -43.46 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.37 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.7 m-85 -61.89 -49.97 74.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.732 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.72 -37.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.36 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.76 -36.31 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.6 mt-30 -67.95 -41.01 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.339 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -62.5 -39.03 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.294 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.69 -44.1 97.1 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -53.41 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.52 -26.32 67.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 110.205 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -63.94 -34.31 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.496 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -73.7 -13.58 61.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -79.86 1.49 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 2.5 73.12 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -68.82 149.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.559 0.218 . . . . 0.0 110.468 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.2 ptmt -51.67 -165.6 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.744 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -111.39 105.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 111.453 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -132.18 164.98 25.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.69 134.31 35.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 -46.89 10.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 39.1 t0 -54.17 -51.58 63.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.082 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.48 -58.94 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.517 0.511 . . . . 0.0 111.525 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -49.08 -42.53 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.976 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -76.03 -48.77 19.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 3.0 m-85 -51.86 -64.9 0.67 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.508 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -47.87 -57.4 5.71 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.332 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -55.57 -58.12 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.785 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CZ ' ' NE1' ' A' ' 56' ' ' TRP . 7.0 m-85 -66.12 -54.92 19.65 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 86.0 t -43.64 -44.7 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.935 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -79.84 -21.21 44.44 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.299 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' PHE . 8.8 t70 -74.44 -66.73 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.035 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 pt -84.86 -15.98 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.615 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.641 ' SG ' ' CD1' ' A' ' 45' ' ' PHE . 2.2 m -130.35 63.13 68.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.1 -23.72 15.59 Favored 'Trans proline' 0 C--N 1.301 -1.934 0 C-N-CA 122.717 2.278 . . . . 0.0 112.906 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.551 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 15.8 t90 -122.04 -3.67 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p90 -145.58 75.31 13.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 121.001 0.429 . . . . 0.0 111.425 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.4 5.99 5.42 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.981 3.121 . . . . 0.0 111.665 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -62.0 -51.78 66.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.406 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -115.8 -78.44 0.58 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.84 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . 63.13 88.46 0.04 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -82.68 163.42 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.18 125.42 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.079 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 63.2 m-20 -132.17 139.33 48.34 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.698 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.19 -40.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.294 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -46.72 80.16 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.967 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 52' ' ' ASP . 50.6 mtm180 -72.26 -63.89 1.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.546 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.629 ' NE1' ' CZ ' ' A' ' 37' ' ' PHE . 44.8 t90 -42.84 -27.85 0.21 Allowed 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 55' ' ' ARG . 59.3 ttp180 -72.83 -46.19 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 81.4 mtp180 -63.52 -52.29 61.82 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.116 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.31 -23.87 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.282 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.45 -50.5 37.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.0 t70 -64.97 -40.87 95.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.1 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.606 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.91 -45.62 92.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.98 -61.84 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.955 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -51.76 -24.75 6.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.068 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -83.36 -43.55 15.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.66 -44.14 97.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.05 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.56 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.9 m -51.32 -17.21 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 93.4 t80 -84.85 5.41 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.12 72.04 0.61 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.55 159.87 38.91 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.742 2.295 . . . . 0.0 112.261 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -100.74 -9.0 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -121.97 39.04 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.182 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.1 p -46.64 102.61 0.31 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.255 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -82.24 143.23 12.48 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.654 2.236 . . . . 0.0 112.8 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 -22.19 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.691 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.4 mt -47.75 -21.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.363 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.66 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 110.472 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -47.29 -42.04 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.672 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 m -59.38 -42.33 91.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.71 179.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.169 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 53.1 t90 68.31 -65.58 0.26 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.806 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.51 -40.7 92.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.05 -33.43 75.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.884 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.12 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.29 -58.37 6.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -59.37 -21.03 59.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.77 -54.53 15.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 tt -53.17 -37.31 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.315 0.578 . . . . 0.0 109.551 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.48 -62.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.031 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.4 -10.41 11.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 95' ' ' VAL . 8.9 mttp -86.42 -14.85 42.1 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.784 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -47.46 -9.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.567 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -51.68 -64.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.332 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 1.5 t-20 162.9 69.57 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.637 0 CA-C-O 121.351 0.596 . . . . 0.0 110.554 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -92.23 -168.0 0.21 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 123.186 2.59 . . . . 0.0 111.664 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.84 -24.74 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.9 t -58.84 -44.77 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 84.2 mtp -69.29 -30.05 68.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.21 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -67.98 -47.65 67.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -15.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.482 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.427 ' H ' ' C ' ' A' ' 101' ' ' ALA . 4.0 t . . . . . 0 C--N 1.328 -0.329 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.455 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.757 0.313 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -60.78 -37.66 82.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -67.22 -38.77 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.92 -37.73 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.07 -62.55 1.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -51.33 -43.44 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.041 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.8 m-85 -62.74 -52.88 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.657 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -44.46 -37.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.24 -38.45 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' TYR . 85.4 mm-40 -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.066 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -61.94 -42.31 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -58.04 -48.23 80.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.84 -54.76 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.2 mt -64.38 -32.98 74.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.024 0.44 . . . . 0.0 110.572 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.3 -23.22 65.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.2 p -87.37 -3.75 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.679 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -90.05 9.26 28.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.657 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.88 35.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.4 p -65.52 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.543 0.211 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 24' ' ' VAL . 10.9 ptmt -51.82 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.643 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.26 107.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -130.66 149.13 52.46 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.156 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -69.76 134.27 48.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.185 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.1 -45.21 12.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.8 t0 -48.83 -50.44 34.47 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.236 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.36 -59.88 4.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.474 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -47.56 -46.94 28.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.617 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 17.4 mmtt -76.55 -47.48 22.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 71.0 t80 -51.64 -63.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.678 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.2 t80 -58.84 -50.12 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.617 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -52.04 -59.43 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 m-85 -65.5 -49.39 69.18 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.948 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 47.6 t -49.75 -58.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -66.84 -40.46 87.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.524 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.11 -67.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.694 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.37 -43.65 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.27 77.61 13.27 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 121.364 0.602 . . . . 0.0 111.093 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.71 -22.61 11.79 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.309 2.006 . . . . 0.0 112.286 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 94.1 m95 -122.79 1.98 9.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.293 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TRP . 74.0 m-85 -144.67 66.22 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.44 1.16 9.06 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.054 2.502 . . . . 0.0 111.978 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.12 -50.93 66.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -99.28 -78.16 0.51 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.428 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.27 116.75 0.05 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -125.86 156.38 39.7 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.425 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.9 pp -76.25 128.34 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.303 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 88.6 m-20 -136.2 144.71 45.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.426 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.8 mt -97.71 -40.27 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HZ3' HH12 ' A' ' 57' ' ' ARG . 64.9 mmtt -66.21 -44.85 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.238 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.1 mtt180 -71.43 -65.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.029 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -44.61 -21.93 0.07 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.46 HH12 ' HZ3' ' A' ' 54' ' ' LYS . 57.1 ttp180 -75.69 -48.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.843 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.62 -55.02 26.86 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.063 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.15 -22.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.9 62.6 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 32.6 t70 -70.44 -39.42 74.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -52.48 -65.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.839 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -63.44 -46.7 85.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.81 -59.63 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.17 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.3 t0 -56.13 -30.42 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.196 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -74.49 -45.03 48.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -65.67 -39.35 91.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -78.59 -60.58 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.229 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 33.6 m -46.73 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.415 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -65.28 -53.15 48.44 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.581 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.26 70.24 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.57 160.33 19.41 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.105 2.536 . . . . 0.0 112.304 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -102.85 2.74 35.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -124.66 23.31 8.07 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.8 p -44.41 100.92 0.24 Allowed Pre-proline 0 CA--C 1.532 0.256 0 O-C-N 123.516 0.51 . . . . 0.0 110.081 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.91 154.04 19.65 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.853 2.369 . . . . 0.0 112.7 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p -76.85 -25.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.557 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.2 mt -45.66 -24.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -55.43 -64.58 0.8 Allowed 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.565 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -43.37 -34.51 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.861 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -37.39 85.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' C ' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.16 162.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.501 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 7.2 t90 68.83 -60.39 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -58.47 -45.88 87.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.748 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -38.35 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.057 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mm -58.13 -43.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.25 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -65.87 -59.67 3.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.556 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -56.85 -22.46 36.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.47 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -55.3 10.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.029 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -51.9 -32.68 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.07 -63.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.452 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.97 -10.49 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.477 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 95' ' ' VAL . 2.7 mttp -89.7 -15.91 31.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -46.11 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.556 ' H ' ' C ' ' A' ' 93' ' ' LYS . 24.1 t -47.67 -64.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER 162.02 67.67 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 CA-C-O 121.456 0.646 . . . . 0.0 110.61 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.12 -168.62 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.026 2.484 . . . . 0.0 112.25 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -61.78 -30.89 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.203 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -50.74 -42.42 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.941 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.435 ' SD ' ' ND2' ' A' ' 96' ' ' ASN . 62.0 ttp -65.96 -35.31 80.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.438 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.48 -51.18 54.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.6 -17.23 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.157 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.6 t . . . . . 0 C--N 1.331 -0.23 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.493 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.759 0.314 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -58.87 -41.56 87.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.686 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.525 HE22 ' CG2' ' A' ' 95' ' ' VAL . 62.4 tt0 -63.43 -40.02 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.197 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.7 -39.63 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -59.35 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.051 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -51.33 -44.59 62.02 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.295 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.6 m-85 -59.76 -52.57 64.91 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.464 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.88 -36.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.449 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.2 mt-30 -64.31 -41.69 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.2 mm? -62.84 -40.87 98.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -62.06 -40.48 95.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.4 -47.46 83.8 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.257 0.551 . . . . 0.0 110.412 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.3 -56.56 19.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.96 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.89 -21.4 60.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 30.7 p -78.83 -4.54 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -92.02 -1.43 57.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.36 89.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -61.97 145.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.679 0.276 . . . . 0.0 110.45 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.4 ptmt -53.57 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.95 99.99 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -122.53 154.72 37.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.92 133.59 35.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.208 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.21 -45.7 10.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.1 t70 -54.22 -53.53 52.36 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.83 -59.68 3.63 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.392 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.4 tp -48.47 -41.81 30.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.352 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -81.76 -48.16 11.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.385 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 79.3 t80 -52.65 -57.16 10.95 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.605 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -62.09 -51.95 65.88 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.624 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -53.52 -56.19 19.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 111.103 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.19 -54.38 34.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.692 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 42.8 t -45.21 -56.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.833 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -63.37 -41.3 98.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 53.5 t0 -66.69 -67.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.276 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.62 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -117.86 77.69 11.96 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.82 -22.3 7.71 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.633 2.222 . . . . 0.0 112.195 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 m-90 -121.85 0.3 9.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 43.1 m-85 -141.49 66.37 23.09 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.781 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.57 -2.19 12.37 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 C-N-CA 122.896 2.397 . . . . 0.0 112.144 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.82 -48.8 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -98.65 -76.13 0.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.81 109.99 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 p -124.08 159.18 30.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 pp -76.45 130.86 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.296 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -135.18 143.86 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.455 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.5 mt -98.06 -40.26 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -66.08 -44.32 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.5 mtt-85 -72.82 -65.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.486 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 70.0 t-105 -43.62 -22.82 0.05 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 55' ' ' ARG . 56.2 ttp180 -76.84 -47.9 20.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 81.6 mtp180 -63.16 -55.49 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.461 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.37 -22.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.68 -45.39 66.23 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 13.8 t70 -68.54 -39.82 80.97 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.66 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 58.6 m -53.17 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.59 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.86 -46.05 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.96 -60.37 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.044 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 44.1 t0 -54.0 -23.42 13.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.272 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.39 -40.33 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 82.8 t80 -63.28 -42.69 99.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.348 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.84 -55.06 9.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -54.73 -18.23 4.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 64.3 t80 -82.83 0.0 46.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.665 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.51 71.72 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.6 Cg_endo -77.62 155.28 31.43 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 123.008 2.472 . . . . 0.0 112.272 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -101.18 1.52 39.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -126.51 33.0 5.07 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.714 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -44.32 100.57 0.23 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 O-C-N 123.862 0.726 . . . . 0.0 110.009 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -81.45 144.85 14.55 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.909 2.406 . . . . 0.0 112.627 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 p -78.48 -12.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.744 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.482 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 84.8 mt -50.51 -18.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -57.49 12.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.476 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.07 -47.59 61.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.86 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 78.2 p -59.76 -36.66 77.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 3.2 m-85 -68.19 177.5 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.1 t90 64.4 -65.38 0.14 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.433 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 94.0 m-20 -60.61 -42.65 97.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -66.14 -33.5 75.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.837 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.428 HD12 HG22 ' A' ' 86' ' ' ILE . 24.7 mm -58.05 -42.52 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.29 -58.72 4.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.512 0.672 . . . . 0.0 110.521 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.06 -21.47 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.6 -56.75 7.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.098 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 tt -52.22 -31.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.335 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.06 -62.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.33 -43.83 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 95' ' ' VAL . 79.2 tttt -59.93 -17.36 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -52.99 -5.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.532 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 93' ' ' LYS . 86.5 t -43.49 -65.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.503 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 5.1 m-20 165.02 60.55 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 0.0 110.904 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.1 Cg_endo -91.24 -156.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 123.09 2.527 . . . . 0.0 112.194 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.84 -28.29 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.933 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.9 t -54.39 -44.71 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.168 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.58 -31.86 71.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.76 -52.84 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.255 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.2 -18.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.9 t . . . . . 0 C--O 1.224 -0.251 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.227 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -57.82 -38.99 76.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.39 -39.07 91.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.07 -40.74 81.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.496 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.84 -62.38 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.218 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -51.11 -43.01 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -62.24 -51.34 68.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.63 -36.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.377 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.45 -39.99 77.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.585 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.5 -42.85 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -62.23 -41.08 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -62.59 -41.6 99.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.225 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -58.52 -46.02 87.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.837 0.351 . . . . 0.0 111.095 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.27 -52.64 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.598 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.42 -29.74 69.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.462 . . . . 0.0 110.474 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -59.72 -28.75 67.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.621 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 76.7 p -78.37 -4.14 46.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.828 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.528 HH22 ' CB ' ' A' ' 81' ' ' SER . 81.5 mtp180 -93.81 0.2 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.87 -2.54 32.76 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.527 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.1 p -62.66 61.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 O-C-N 123.628 0.252 . . . . 0.0 110.393 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.7 ptmt 36.14 -163.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.18 0.3 . . . . 0.0 110.282 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.04 109.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HZ2' ' CD1' ' A' ' 32' ' ' LEU . 81.1 tttt -123.72 156.87 35.18 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.371 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -83.47 134.23 34.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.238 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.84 -40.41 16.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 25.9 t0 -55.43 -58.04 9.39 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.177 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.23 -60.44 3.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.45 . . . . 0.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' ' HZ2' ' A' ' 27' ' ' LYS . 61.6 tp -48.77 -45.55 40.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.196 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.54 ' HZ3' ' CD1' ' A' ' 89' ' ' LEU . 79.6 tttt -76.92 -47.66 20.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.373 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 81.0 t80 -51.95 -64.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.42 -50.55 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.485 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.21 -58.0 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -57.53 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.67 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 53.3 t -45.99 -58.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.643 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -63.97 -44.77 91.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 37.2 t0 -61.24 -66.76 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.33 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.17 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.677 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -118.94 78.44 16.33 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.365 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.89 -18.7 8.87 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.641 2.227 . . . . 0.0 112.148 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 2.9 m0 -120.94 -8.76 9.34 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.339 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.492 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 19.0 m-85 -136.76 69.46 58.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 0.0 110.493 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.33 1.92 7.84 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.791 2.327 . . . . 0.0 112.371 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.84 -50.53 70.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -103.04 -76.7 0.58 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.78 112.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -124.4 164.28 20.0 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -79.2 125.24 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -128.86 137.4 51.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.042 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -93.41 -41.62 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.4 -46.61 76.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.494 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 57' ' ' ARG . 93.9 mtt-85 -70.93 -64.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.566 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.449 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 41.9 t90 -43.3 -26.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.857 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 55' ' ' ARG . 76.9 ttt-85 -74.02 -46.64 42.2 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.684 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.509 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.0 mtp85 -62.68 -50.96 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.028 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.46 -24.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -47.94 62.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.8 t70 -68.81 -41.26 78.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 0.0 110.808 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 99.9 m -49.86 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.92 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.19 -46.33 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.529 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -53.54 -32.71 51.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.195 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -73.36 -45.84 52.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.55 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.029 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.58 -61.0 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 28.3 m -46.85 -28.07 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.277 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.45 -52.81 50.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.91 70.8 0.32 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.07 163.4 20.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.18 2.586 . . . . 0.0 112.622 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -101.7 1.19 37.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -126.63 27.89 6.01 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.45 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.5 p -44.15 100.42 0.23 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.838 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.13 148.47 16.92 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.702 2.268 . . . . 0.0 112.909 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ALA . 10.4 p -75.29 -22.06 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.311 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.33 -21.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.258 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.94 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -46.41 -42.23 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.684 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.528 ' CB ' HH22 ' A' ' 22' ' ' ARG . 19.3 m -59.24 -42.59 91.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.82 173.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.46 -72.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -60.34 -41.27 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.275 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.64 -39.05 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -59.75 -43.22 91.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 0.0 109.889 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.05 -59.28 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.322 0.582 . . . . 0.0 110.886 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -57.74 -20.49 35.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.085 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.54 ' CD1' ' HZ3' ' A' ' 33' ' ' LYS . 2.9 tp -63.05 -57.69 9.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.713 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.22 -34.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.44 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.502 . . . . 0.0 110.688 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.86 -41.49 91.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.944 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 95' ' ' VAL . 83.3 tttt -64.46 -18.16 64.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -55.81 -5.77 0.18 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.505 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 79.6 t -43.8 -65.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.091 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 6.0 m-20 166.92 61.45 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 121.355 0.598 . . . . 0.0 111.32 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.9 Cg_endo -90.91 -158.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 123.054 2.503 . . . . 0.0 111.717 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -65.34 -21.45 66.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.273 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.49 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.952 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.3 mmm -70.4 -31.13 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.373 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.14 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.87 -18.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.105 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.338 179.108 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -59.24 -48.4 81.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.086 0.469 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -65.76 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.266 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -66.87 -32.26 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -38.94 93.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -69.65 -44.27 70.9 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.65 -51.49 68.26 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.34 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.35 -46.11 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.4 -35.2 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.696 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -43.44 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -41.31 97.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.091 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -61.66 -40.67 95.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.221 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.8 -42.32 97.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.95 10.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.738 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.45 -25.74 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -65.38 -34.73 79.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.762 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -74.89 -5.0 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -88.82 7.86 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.32 -4.76 31.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.8 p -66.34 151.61 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.613 0.244 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 9.9 ptmt -51.06 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.651 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.7 t -112.92 109.74 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -131.42 151.22 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.505 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -69.61 135.63 50.2 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.274 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.14 -44.57 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.116 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.1 t0 -53.53 -54.17 41.05 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -61.29 2.38 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.064 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.8 tp -47.82 -45.15 29.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.57 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -77.25 -50.53 12.68 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.204 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 82.2 t80 -49.71 -62.69 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -57.94 -52.18 66.57 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.301 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 60.3 t0 -53.34 -59.73 4.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.252 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.28 -57.9 9.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.423 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 42' ' ' CYS . 55.6 t -44.33 -56.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -64.39 -41.71 96.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD2' ' CE3' ' A' ' 56' ' ' TRP . 66.5 t0 -64.51 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.14 -43.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -118.91 79.37 17.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -80.0 -20.49 8.78 Favored 'Trans proline' 0 C--N 1.302 -1.875 0 C-N-CA 122.622 2.215 . . . . 0.0 112.385 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -123.47 -2.23 8.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.1 m-85 -141.43 65.51 21.46 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.06 0.457 . . . . 0.0 110.728 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.95 3.9 4.64 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 123.107 2.538 . . . . 0.0 112.191 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.1 -48.51 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.643 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -115.96 -78.5 0.58 Allowed 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.591 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.24 90.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 p -86.74 169.99 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -83.56 124.18 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 90.7 m-20 -137.13 141.0 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.4 mt -93.49 -33.58 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.99 -46.48 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.62 -65.71 0.7 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CE3' ' OD2' ' A' ' 40' ' ' ASP . 44.3 t-105 -42.01 -30.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.091 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.664 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 58.4 ttm-85 -71.43 -50.21 34.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 85.7 mtm180 -63.24 -52.63 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 ' CG1' ' OD1' ' A' ' 40' ' ' ASP . 92.5 t -71.91 -23.02 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.56 -47.09 43.83 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -68.91 -40.6 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 110.717 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 70.9 m -50.99 -66.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.944 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -63.06 -44.78 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -65.93 -62.78 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.0 t0 -50.35 -37.66 38.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.672 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.13 -45.9 58.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -63.23 -43.32 98.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.747 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -75.5 -61.89 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 31.4 m -45.39 -28.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.42 -54.73 24.41 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.4 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.61 71.07 0.25 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -79.67 160.7 24.93 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.027 2.485 . . . . 0.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -101.63 -2.31 30.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -122.71 27.08 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.5 p -44.47 101.16 0.25 Allowed Pre-proline 0 N--CA 1.452 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.083 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -81.38 150.91 17.44 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.944 2.43 . . . . 0.0 112.549 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.9 p -75.9 -20.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.494 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.472 ' O ' ' OG ' ' A' ' 81' ' ' SER . 92.9 mt -45.37 -21.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -59.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -45.37 -45.29 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 54.1 p -57.63 -42.15 82.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.62 178.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.664 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 2.5 t90 71.39 -69.24 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.415 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.12 -41.83 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.21 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.78 -44.66 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.559 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -60.49 -57.09 14.21 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.063 0.459 . . . . 0.0 110.614 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -16.63 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.389 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 tp -64.42 -59.13 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.355 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.29 -32.64 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 94.3 m-20 -60.24 -66.72 0.48 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.102 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -51.52 -37.66 50.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -71.39 -13.97 62.02 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-O 121.16 0.505 . . . . 0.0 110.5 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 69.4 tt0 -60.92 -7.31 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.483 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.534 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 47.7 t -44.17 -66.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.769 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 4.5 m-20 165.24 63.62 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 121.691 0.758 . . . . 0.0 110.806 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 13.0 Cg_endo -90.08 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 123.211 2.608 . . . . 0.0 112.047 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.43 -16.3 61.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.417 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.85 -45.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.9 mtp -83.58 -25.58 30.79 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.611 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.91 63.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.14 80.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.001 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.464 0.244 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.015 -178.275 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -59.26 -44.67 92.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.18 -36.02 82.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.49 -39.11 86.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.231 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.24 -62.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -51.76 -46.81 64.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.408 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 14' ' ' GLN . 5.8 m-85 -60.58 -52.71 64.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.314 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.63 -38.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.416 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.13 -36.2 79.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.693 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.9 mm-40 -66.63 -41.74 87.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.3 mm? -63.3 -40.33 97.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.269 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -56.49 -46.57 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.71 -54.86 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.765 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.8 -30.98 72.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.89 -28.02 68.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 72.4 p -79.74 -4.41 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.809 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -91.05 1.87 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.72 87.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.3 p -63.72 147.13 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.654 0.264 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.42 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.68 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.735 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -126.72 148.4 49.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.348 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -71.16 130.81 42.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.328 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.21 -40.55 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.617 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.6 t70 -54.45 -56.14 21.71 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.64 -58.56 5.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.447 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -49.7 -42.99 47.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -80.6 -46.98 14.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 80.5 t80 -53.49 -54.07 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.696 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.32 -50.93 65.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.82 -60.69 3.43 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 61.8 t80 -53.97 -64.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.841 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.96 -58.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.23 -43.55 97.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.885 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.528 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 62.0 t0 -55.51 -67.26 0.3 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.496 -178.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.1 pt -72.59 -25.81 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.654 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.2 72.72 78.51 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 111.043 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -79.95 -17.02 11.01 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 122.503 2.136 . . . . 0.0 112.053 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 96.3 m95 -122.09 -3.76 9.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m-85 -144.48 69.06 15.35 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 110.956 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.11 3.81 5.85 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.65 2.233 . . . . 0.0 112.01 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -61.82 -51.75 66.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.621 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -121.89 -79.98 0.62 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.082 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 95.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 p -83.04 160.6 21.91 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.6 pp -76.89 131.91 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 91.0 m-20 -136.73 144.92 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.1 mt -93.58 -35.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.479 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -65.41 -47.63 75.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.1 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 95.7 mtt-85 -71.54 -64.71 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.716 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 53.1 t-105 -42.14 -31.73 0.4 Allowed 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -70.9 -45.44 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.967 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.517 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 82.7 mtp180 -64.64 -56.53 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.101 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.98 -25.92 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 -45.77 74.57 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 10.0 t70 -72.62 -42.76 64.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.0 m -49.99 -64.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.957 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.31 -47.58 81.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.489 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.11 -60.3 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.45 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.1 t0 -54.57 -30.41 54.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.396 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -78.02 -40.04 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.91 0.386 . . . . 0.0 110.955 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -68.4 -39.51 81.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -79.75 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.467 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 41.1 m -46.43 -31.07 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.398 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.61 -52.35 61.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.245 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.78 69.88 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.2 Cg_endo -81.64 163.43 18.85 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.15 2.567 . . . . 0.0 112.394 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -100.47 -0.81 37.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.45 . . . . 0.0 110.674 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -124.13 27.65 7.04 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.8 p -45.81 102.97 0.32 Allowed Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.098 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -81.7 147.78 15.59 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.75 2.3 . . . . 0.0 112.722 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.52 -24.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.43 ' O ' ' OG ' ' A' ' 81' ' ' SER . 72.6 mt -46.29 -22.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.324 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.59 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -46.94 -38.23 10.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.568 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 4.3 p -59.66 -46.39 89.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' ASN . 12.8 m-85 -53.38 -179.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.408 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 t90 65.36 -65.96 0.15 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.5 m120 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.05 -34.41 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.33 -43.92 78.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -67.07 -57.17 7.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.528 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.548 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 29.7 tp10 -59.42 -22.96 62.23 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.508 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -54.55 22.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.05 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.8 tt -55.21 -34.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.03 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.99 -63.9 1.14 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.834 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.548 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 59.3 mttp -63.03 -9.99 12.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.529 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 95' ' ' VAL . 59.5 tttt -91.74 -13.2 31.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -50.67 -6.3 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.037 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 93' ' ' LYS . 6.7 t -44.31 -68.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.707 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.508 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 2.4 t-20 159.96 62.86 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.769 0.668 . . . . 0.0 111.099 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -92.16 -157.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.723 2.282 . . . . 0.0 112.067 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.54 -21.75 62.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.149 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.27 -44.67 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.104 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.1 mtp -67.16 -33.99 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.574 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.86 66.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.51 -22.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.331 -0.214 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.401 179.338 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.964 0.411 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -59.23 -44.53 92.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.417 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -64.66 -38.84 92.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.98 -40.03 83.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.6 -62.57 1.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -50.37 -44.43 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.349 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.91 -50.63 72.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.539 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.28 -39.55 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.207 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -66.99 -37.05 83.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.623 ' NE2' ' HZ2' ' A' ' 92' ' ' LYS . 94.8 mt-30 -65.97 -40.85 91.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.41 -39.93 95.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -63.41 -41.06 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.063 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.82 -44.56 90.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.65 -52.44 65.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.28 -29.41 70.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 0.0 110.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.27 -29.79 70.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 78.8 p -76.27 -5.37 46.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.781 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.555 HH22 ' CB ' ' A' ' 81' ' ' SER . 97.8 mtt180 -93.85 -1.71 54.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.357 . . . . 0.0 110.655 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.33 -1.09 36.93 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.8 p -63.58 63.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 18.8 ptmt 36.85 -162.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.45 112.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.287 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -131.24 149.24 52.66 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.256 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -71.58 134.04 46.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -40.8 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -44.65 -48.78 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.853 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.29 -49.87 65.62 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.415 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -52.84 -50.02 64.55 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.152 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -75.11 -47.52 28.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.315 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.1 t80 -52.41 -60.92 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.277 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 16.2 t80 -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.286 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.7 -63.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.73 -60.89 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 59.1 t -45.66 -50.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.975 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.21 -21.62 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.188 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.52 -68.66 0.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 112.123 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -94.54 -3.92 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -131.98 54.67 14.77 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-O 121.419 0.628 . . . . 0.0 110.476 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 50.6 Cg_endo -70.76 -20.79 29.7 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.269 1.979 . . . . 0.0 111.914 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 90.3 m95 -120.22 -6.86 9.88 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 5.4 m-85 -137.68 71.33 51.01 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.453 . . . . 0.0 110.677 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -78.19 -3.94 13.87 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -62.12 -51.62 67.17 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.505 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -122.21 -78.73 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.971 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.95 102.0 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -78.88 169.41 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -92.0 127.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -133.65 138.35 45.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.233 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.75 -28.51 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.944 0.402 . . . . 0.0 110.469 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -64.94 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -74.53 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.752 -0.379 . . . . 0.0 109.985 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -43.26 -39.19 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 109.774 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.712 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 42.2 ttm180 -69.68 -44.57 70.17 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.675 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 75.4 ttt180 -67.41 -57.75 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.297 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.76 -27.67 41.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.76 -46.95 64.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' ASP . 20.2 t70 -70.81 -39.37 73.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 76.2 m -53.22 -65.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.927 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.04 -41.87 99.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.557 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -69.31 -59.97 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.355 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -55.68 -24.7 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.306 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -85.74 -45.08 11.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.01 -41.37 97.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -76.0 -59.24 2.85 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 94.6 m -46.95 -29.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.373 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.06 -54.54 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.38 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.92 69.1 0.18 Allowed Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.57 163.09 24.39 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.115 2.543 . . . . 0.0 112.186 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -100.63 -5.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.02 33.29 5.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -45.61 100.97 0.24 Allowed Pre-proline 0 C--N 1.33 -0.269 0 O-C-N 123.47 0.482 . . . . 0.0 109.906 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -82.5 145.09 13.07 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.909 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.7 p -77.45 -20.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -44.68 -23.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.401 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -56.72 -61.64 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.278 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -44.99 -41.97 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.606 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.555 ' CB ' HH22 ' A' ' 22' ' ' ARG . 15.3 m -60.15 -43.33 95.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.766 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.6 172.0 0.27 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.712 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 7.6 t90 71.75 -61.35 0.49 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.11 -41.98 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.589 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.35 -34.75 79.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.735 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 86' ' ' ILE . 32.1 mm -60.28 -42.36 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -65.2 -63.03 1.2 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.153 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -53.95 -22.96 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.26 -49.18 62.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.5 tt -57.07 -34.13 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.406 0.622 . . . . 0.0 109.959 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -62.19 -62.86 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.623 ' HZ2' ' NE2' ' A' ' 14' ' ' GLN . 86.6 tttt -55.76 -30.05 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.947 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 95' ' ' VAL . 6.0 mmtt -62.67 -28.49 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.508 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -42.93 -14.16 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.596 ' N ' ' O ' ' A' ' 93' ' ' LYS . 99.9 t -48.46 -64.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.081 -0.387 . . . . 0.0 111.33 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.3 p30 164.55 66.49 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.654 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -94.7 -169.38 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 123.54 2.826 . . . . 0.0 112.051 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.09 -24.08 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.191 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.85 -44.34 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.083 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mmm -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.12 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.61 -20.18 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.378 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.363 179.24 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -59.35 -41.43 89.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.12 -37.5 87.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.388 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -57.57 -42.29 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.274 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.23 -61.6 2.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.161 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -49.83 -45.15 49.87 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.281 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.64 -50.32 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.879 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.68 -39.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.69 -38.05 83.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.47 -41.5 96.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.3 mm? -64.11 -39.94 95.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.658 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.1 -42.34 99.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -60.31 -43.64 96.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.73 -53.19 60.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.74 -28.36 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.02 -29.07 70.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.798 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.7 p -78.17 -5.45 51.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 24' ' ' VAL . 79.3 mtp85 -91.98 1.5 57.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 70.43 -2.4 15.53 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.1 p -62.99 62.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.4 ptmt 35.4 -162.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -111.89 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.303 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -122.39 155.84 35.22 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.74 133.64 35.15 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.39 -42.3 12.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.711 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.3 t0 -48.91 -48.43 42.56 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.769 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.32 -60.68 3.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.954 0.406 . . . . 0.0 111.196 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -47.83 -45.93 30.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.36 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -76.76 -47.55 21.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.198 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 74.5 t80 -52.56 -62.13 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.48 -51.61 68.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.906 0.384 . . . . 0.0 111.418 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 29.6 t0 -52.59 -58.75 5.78 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ILE . 11.4 m-85 -63.1 -54.18 41.93 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' CYS . 46.5 t -48.46 -60.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.045 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.9 -43.03 97.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 5.8 t0 -64.87 -67.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.25 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' PHE . 95.8 mt -64.45 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.514 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.1 m -119.24 78.83 18.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.192 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.24 -23.38 7.59 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.605 2.203 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -121.54 -2.54 9.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 63.3 m-85 -139.89 64.31 27.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.68 0.61 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.888 2.392 . . . . 0.0 111.98 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.84 -50.45 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -95.11 -77.24 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.303 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 112.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -123.56 170.3 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.99 126.57 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -135.56 139.09 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.865 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.9 mt -94.2 -40.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.862 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.84 -44.53 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 111.03 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' N ' ' A' ' 57' ' ' ARG . 35.4 ttm180 -68.7 -65.45 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -44.66 -22.51 0.08 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.261 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 55' ' ' ARG . 74.8 ttt180 -73.56 -46.58 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.843 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.493 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 80.3 mtp85 -62.94 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.03 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.55 -22.77 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.78 -48.12 51.23 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.7 t70 -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 81.9 m -50.3 -64.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.859 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.06 -47.6 82.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.09 -60.47 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.364 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 40.1 t0 -53.76 -35.21 61.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -74.39 -45.49 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.922 0.392 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.68 -41.05 96.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.6 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 32.4 m -47.22 -28.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.76 -52.03 62.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.87 69.78 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.85 163.32 31.41 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.897 2.398 . . . . 0.0 112.446 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -101.03 -5.19 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.798 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -123.21 33.42 5.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.353 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.2 p -46.01 102.0 0.28 Allowed Pre-proline 0 CA--C 1.531 0.233 0 O-C-N 123.455 0.472 . . . . 0.0 109.816 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 152.62 15.24 Favored 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 122.972 2.448 . . . . 0.0 112.815 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 79' ' ' ALA . 11.2 p -78.01 -23.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.455 ' O ' ' OG ' ' A' ' 81' ' ' SER . 74.9 mt -45.39 -22.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -55.6 -62.81 1.44 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -47.56 -43.85 25.58 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.485 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 33.9 p -60.23 -41.0 92.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.32 172.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 69.47 -65.57 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.773 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -59.7 -42.42 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.218 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.17 -37.38 87.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.815 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.2 mm -53.49 -48.88 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.45 -54.8 38.7 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.588 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -56.66 -24.45 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.273 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.5 -57.56 8.87 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.908 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 3.8 tt -52.33 -36.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 82.9 m-20 -57.37 -63.59 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.18 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -56.16 -37.54 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 95' ' ' VAL . 5.2 mttp -64.71 -18.7 65.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -45.43 -12.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.4 t -47.54 -64.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.083 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 95' ' ' VAL . 1.5 m120 166.97 68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.309 0 CA-C-O 121.335 0.588 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -90.7 -173.18 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.096 2.53 . . . . 0.0 112.149 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.475 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.94 -44.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.364 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.59 -32.15 71.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.44 71.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.96 -17.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.185 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 CA--C 1.528 0.127 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.313 179.233 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -56.82 -44.48 82.08 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.266 0.555 . . . . 0.0 110.137 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.62 -35.71 80.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.137 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.09 -30.72 71.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.54 -60.36 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -55.21 -45.27 75.91 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -60.98 -52.68 63.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.27 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -43.89 -35.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -71.18 -34.21 70.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.2 mm-40 -69.72 -42.65 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.56 -40.54 97.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -63.58 -38.45 91.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.09 -43.65 91.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 111.034 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 -54.4 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.446 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.86 -23.26 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -69.85 -4.62 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.759 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -92.17 2.2 56.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 0.5 63.5 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -72.06 150.68 8.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.442 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.5 ptmt -51.04 -164.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.385 0.428 . . . . 0.0 110.601 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -109.14 97.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -100.07 130.89 46.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.166 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -69.69 132.65 46.48 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.958 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -90.97 -39.48 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.53 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -54.98 -62.01 1.93 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.07 -60.33 2.92 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -50.62 -40.28 52.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 29' ' ' ALA . 78.1 tttt -81.65 -48.05 12.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.108 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 66.6 t80 -51.55 -56.41 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.486 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.542 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.05 -58.15 8.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.356 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE2' ' CH2' ' A' ' 56' ' ' TRP . 15.7 m-85 -61.87 -56.39 19.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.443 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 25.4 t -41.5 -45.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.1 -21.9 36.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.38 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 40.5 t0 -70.0 -68.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.155 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 pt -89.04 -7.86 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.627 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -131.85 57.29 29.11 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 121.748 0.785 . . . . 0.0 110.79 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.74 -25.32 20.53 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.15 1.9 . . . . 0.0 112.251 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.433 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 6.1 m-90 -120.32 3.5 10.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 7.4 m-85 -145.82 67.61 12.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.62 -1.64 11.77 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -62.21 -50.55 71.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.459 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -121.92 -78.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.875 0.369 . . . . 0.0 110.156 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.8 103.42 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 p -86.38 162.34 18.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.458 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 1.3 pp -81.51 135.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.767 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' A' ' 51' ' ' ILE . 97.4 m-20 -139.03 143.21 38.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.9 -33.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.089 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -45.58 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.6 mtt180 -76.49 -63.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.602 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.64 ' CH2' ' CE2' ' A' ' 37' ' ' PHE . 71.5 t-105 -42.03 -35.1 0.81 Allowed 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.672 ' NH2' ' NE1' ' A' ' 83' ' ' TRP . 57.7 ttm-85 -71.4 -44.61 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.252 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 68.3 ttt180 -63.76 -57.45 9.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.476 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.62 -24.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -50.25 35.15 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.0 t70 -67.76 -43.74 79.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 82.9 m -48.47 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.14 -46.98 81.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.271 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -61.82 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -50.21 -36.41 30.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -70.64 -45.84 64.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -62.46 -44.1 97.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -74.82 -61.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.253 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 49.2 m -44.81 -29.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.324 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.44 -52.44 58.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.586 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.85 70.7 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.5 161.5 25.2 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.075 2.517 . . . . 0.0 112.223 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -100.21 0.61 40.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -126.28 28.76 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.414 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 10.8 p -46.57 102.89 0.33 Allowed Pre-proline 0 CA--C 1.532 0.265 0 O-C-N 123.803 0.69 . . . . 0.0 110.097 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.74 153.12 17.36 Favored 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.794 2.33 . . . . 0.0 112.719 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.16 -13.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.412 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 82.8 mt -48.52 -22.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -56.53 -62.69 1.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.37 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -42.19 -41.45 2.7 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.168 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.323 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 3.8 t80 -59.86 167.83 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.107 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.689 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 3.2 t90 80.27 -74.19 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.65 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.19 -40.79 95.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.501 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.6 -44.15 84.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.776 0.322 . . . . 0.0 110.231 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 8.0 tmtm? -63.01 -54.54 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.329 0.585 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.64 -19.45 62.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 0.0 110.258 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.3 -58.6 5.51 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.676 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.51 -34.39 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.362 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' A' ' 87' ' ' LYS . 93.2 m-20 -58.66 -64.38 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.642 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.91 -42.05 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' ' 95' ' ' VAL . 60.2 tttt -62.95 -12.76 27.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.513 . . . . 0.0 110.743 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.33 -3.7 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.555 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.603 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 95.8 t -44.36 -64.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.91 -178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER 163.58 60.04 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 0.0 110.808 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.54 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.986 2.458 . . . . 0.0 112.238 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.59 -21.86 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.218 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.26 -44.91 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.39 -29.79 68.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.13 -48.35 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.701 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.97 -16.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.2 t . . . . . 0 C--N 1.332 -0.164 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.352 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.542 ' HG ' ' N ' ' A' ' 7' ' ' GLN . 78.1 p -57.74 -43.88 85.67 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.542 ' N ' ' HG ' ' A' ' 6' ' ' SER . 55.2 tt0 -66.3 -39.35 89.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.441 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -57.47 -37.45 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.146 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.14 -62.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.2 -47.18 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.571 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.52 -50.61 72.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.481 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.27 -40.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 0.0 110.361 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.66 -33.9 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -69.0 -40.9 78.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.17 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.71 -40.41 95.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -62.85 -43.21 99.4 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -57.55 -47.31 82.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.345 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.58 -52.91 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.709 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.26 -30.32 70.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.1 p -58.11 -48.15 81.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -58.98 -13.92 7.86 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.034 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 79.92 9.11 87.08 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.57 ' O ' ' O ' ' A' ' 25' ' ' LYS . 8.4 p -59.15 67.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 23' ' ' GLY . 15.6 ptmt 37.52 -170.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.388 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.3 t -112.81 99.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 47.4 tttt -114.07 172.09 7.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.326 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 79.4 m-85 -103.18 130.97 50.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.042 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.85 -41.24 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.895 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 37.7 t0 -53.86 -52.19 61.23 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.522 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.5 -56.78 11.85 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.604 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 97.0 mt -53.99 -42.44 69.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -78.98 -48.16 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 81.2 t80 -56.32 -52.28 65.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.777 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.73 -50.85 67.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 m-20 -56.4 -54.63 43.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.816 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.36 -50.78 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.899 0.381 . . . . 0.0 111.05 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 38.3 t -49.52 -55.29 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -65.77 -44.09 86.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 63.2 t0 -62.54 -67.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.238 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' NH2' ' A' ' 55' ' ' ARG . 95.8 mt -63.54 -42.51 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -120.71 79.07 30.69 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.295 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -79.89 -22.51 7.46 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.631 2.22 . . . . 0.0 112.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -120.88 2.18 10.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.281 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 71.7 m-85 -147.85 65.81 9.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.623 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.85 1.46 7.63 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.956 2.437 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -64.06 -46.44 84.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -105.25 -78.11 0.58 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.795 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 109.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 p -107.98 170.99 7.65 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -92.85 124.61 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.385 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 92.7 m-20 -136.91 138.93 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -94.55 -38.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.13 -43.32 82.7 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 41' ' ' ILE . 71.6 ttt180 -72.03 -65.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.442 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -44.57 -23.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.045 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 55' ' ' ARG . 65.5 ttp85 -74.52 -46.92 36.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.54 -50.71 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.024 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.32 -22.69 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.05 -45.03 86.39 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.3 t70 -71.42 -41.0 70.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.073 0.463 . . . . 0.0 110.93 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.19 -65.44 0.56 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.5 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -62.9 -46.52 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.42 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.59 -60.62 3.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.08 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.2 t0 -51.11 -23.74 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.038 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -84.19 -41.16 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.49 -42.96 99.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -70.56 -59.33 2.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -51.46 -17.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 81.2 t80 -85.53 4.26 36.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.82 73.81 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.7 157.52 24.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.964 2.443 . . . . 0.0 112.089 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -100.93 -4.54 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -119.63 28.17 8.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.14 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 8.3 p -46.21 102.72 0.32 Allowed Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 123.426 0.454 . . . . 0.0 109.946 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -81.6 146.65 15.24 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.549 2.166 . . . . 0.0 112.723 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.85 -24.08 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.522 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -48.32 -24.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.272 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.97 -62.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.293 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -48.31 -42.2 30.41 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.52 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 t -59.57 -42.11 91.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.1 m-85 -59.51 -178.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.703 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 67.18 -69.57 0.13 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.627 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' TYR . 71.8 m-20 -60.38 -41.16 93.21 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.201 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.879 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.55 -45.49 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.214 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.64 -56.29 23.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.438 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -20.5 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.54 -54.4 32.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.7 tt -58.52 -31.91 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.826 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.71 -64.34 0.97 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.702 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.79 -39.66 85.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 95' ' ' VAL . 86.0 tttt -67.18 -13.93 62.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.272 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -60.9 -6.51 1.85 Allowed 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.331 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.643 ' CG1' ' H ' ' A' ' 96' ' ' ASN . 7.1 p -43.46 -64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.366 -177.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.643 ' H ' ' CG1' ' A' ' 95' ' ' VAL . 6.0 m-20 166.43 59.69 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 111.037 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.85 -161.64 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.772 2.315 . . . . 0.0 111.244 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -19.75 66.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.65 -46.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.009 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.436 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 87.2 mtp -72.15 -33.01 67.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.434 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -59.12 -50.56 73.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.35 -17.31 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.099 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 101' ' ' ALA . 11.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.689 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.945 0.402 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -72.88 -31.91 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 89.2 mt-30 -68.46 -44.6 74.5 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -58.95 -46.8 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.491 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.23 -56.62 9.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -52.52 -43.83 65.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -58.12 -59.1 5.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.613 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -42.15 -38.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.486 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.73 -32.74 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 11' ' ' TYR . 84.0 mt-30 -70.77 -45.88 63.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.35 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.0 mm? -60.42 -39.74 88.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.14 -40.54 97.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.83 -44.97 91.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.58 -57.88 9.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.702 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.7 -25.19 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.287 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -63.71 -33.57 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 71.5 p -70.65 -11.12 60.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.736 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -85.92 -1.47 57.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.51 3.38 88.79 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -66.01 149.15 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' VAL . 7.0 ptmt -50.47 -169.38 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -109.17 105.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -123.38 174.97 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.95 134.35 41.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.231 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.16 -44.36 11.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.417 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 30.1 t0 -53.38 -54.64 33.73 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.219 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.99 -61.57 2.3 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.727 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 18.8 mt -49.97 -43.78 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -77.16 -50.54 12.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.343 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 52.3 t80 -48.69 -63.44 1.09 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.426 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.65 -50.25 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.29 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 97.3 m-20 -57.77 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.581 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' ASP . 12.7 m-85 -57.27 -63.05 1.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.389 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' CYS . 72.2 t -42.62 -49.35 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -73.21 -21.29 60.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.2 t0 -80.93 -68.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.496 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -68.02 -42.24 85.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -117.84 75.9 10.56 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 111.344 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.64 -20.81 13.42 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.411 2.074 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.537 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 85.4 m95 -124.85 8.28 8.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.339 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 33.7 m-85 -150.87 63.53 5.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.55 3.33 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.044 2.496 . . . . 0.0 112.075 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.08 -48.15 81.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -112.89 -76.69 0.59 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.446 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 103.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.61 131.81 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 2.7 pp -46.32 129.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.508 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -131.64 139.68 49.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.07 -38.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.78 -44.88 92.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ARG . 82.5 mtt85 -73.27 -65.17 0.84 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.898 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 43.4 t-105 -41.71 -28.13 0.13 Allowed 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 67.2 ttp85 -73.08 -47.79 41.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.753 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ARG . 87.1 mtm180 -64.31 -55.93 17.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.914 0.387 . . . . 0.0 111.044 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.64 -23.06 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.8 -48.1 51.23 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.7 t70 -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 110.616 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 75.8 m -52.63 -67.28 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.806 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -60.79 -45.49 94.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.747 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -64.58 -62.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.6 t0 -52.48 -25.02 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -84.34 -42.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -62.36 -42.35 99.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -69.37 -59.73 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -50.28 -23.0 2.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 87.5 t80 -79.71 4.04 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.66 75.2 0.22 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -78.45 160.79 28.7 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.052 2.501 . . . . 0.0 112.365 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -100.11 -5.98 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.33 33.53 5.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 10.8 p -45.92 102.12 0.29 Allowed Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.743 0.652 . . . . 0.0 110.238 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -82.51 144.92 12.97 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.907 2.405 . . . . 0.0 112.537 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.22 -20.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.7 mt -51.83 -22.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.327 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -57.83 -64.39 0.92 Allowed 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -42.17 -32.39 0.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -61.43 -35.44 77.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -53.52 165.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.616 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.2 t90 69.55 -57.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.41 -36.29 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.93 -45.14 83.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.71 -59.71 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.721 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.59 -19.99 12.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.96 -54.25 10.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.27 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 91' ' ' ASP . 8.9 tt -54.76 -36.56 37.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 90' ' ' ILE . 88.6 m-20 -59.36 -63.99 1.11 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.18 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 99.2 mttt -61.41 -10.84 8.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.09 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.568 ' C ' ' H ' ' A' ' 95' ' ' VAL . 51.5 tttt -89.51 -10.34 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' ASN . 24.0 tp10 -47.97 -8.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 93' ' ' LYS . 3.4 p -45.26 -17.59 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.609 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 94' ' ' GLU . 6.3 m-80 81.68 64.55 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.486 0.491 . . . . 0.0 111.387 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.486 ' HB2' ' H ' ' A' ' 98' ' ' GLN . 59.2 Cg_endo -90.57 -129.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.392 2.728 . . . . 0.0 111.873 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.486 ' H ' ' HB2' ' A' ' 97' ' ' PRO . 63.1 tp60 -72.7 -25.87 61.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.16 -43.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.313 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.5 mmm -73.38 -26.11 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -70.2 -47.65 60.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.243 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -12.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.252 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.5 ' H ' ' C ' ' A' ' 101' ' ' ALA . 7.1 t . . . . . 0 CA--C 1.528 0.115 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -58.07 -43.94 87.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.07 -41.02 91.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.305 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -58.58 -38.05 77.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.995 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -59.4 -61.71 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -52.85 -43.57 66.14 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.2 -50.76 71.8 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.26 -36.68 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.263 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.95 -36.71 75.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.13 -42.84 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.221 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -61.35 -38.86 88.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.16 -47.79 82.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.57 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.804 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.84 -27.45 63.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.541 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.27 -31.59 72.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.689 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 67.3 p -74.27 -15.71 60.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -79.07 2.35 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 1.44 65.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 25' ' ' LYS . 4.4 p -67.34 154.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.867 0.365 . . . . 0.0 110.684 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 ptmt -54.42 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.532 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.55 105.21 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -125.92 148.31 49.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.463 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -71.54 134.25 46.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.01 -42.02 14.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.465 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -53.87 -54.63 35.91 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.037 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.26 -59.39 4.8 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.351 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.7 tp -49.52 -45.05 46.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -77.96 -47.52 18.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.051 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 69.1 t80 -55.21 -50.38 69.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.484 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.4 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.748 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -55.8 -56.06 25.0 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.01 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -55.85 -62.8 1.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.915 0.388 . . . . 0.0 111.883 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.497 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 70.5 t -43.81 -59.11 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.432 -177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -65.65 -37.76 87.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.694 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -63.94 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mt -67.59 -43.08 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.251 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -115.87 78.94 7.56 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 121.107 0.48 . . . . 0.0 111.393 -179.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -79.46 -24.29 6.53 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.374 2.049 . . . . 0.0 112.03 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 4.4 m0 -122.95 5.59 9.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.386 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 11.3 m-85 -147.2 66.42 10.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.695 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -77.34 1.44 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.854 2.37 . . . . 0.0 111.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -62.85 -50.84 69.34 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -115.9 -78.79 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.133 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.88 104.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 p -97.83 163.24 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -80.53 131.99 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NE ' ' A' ' 55' ' ' ARG . 97.4 m-20 -135.31 140.52 45.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.3 mt -93.57 -41.09 12.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.422 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 -45.94 80.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ARG . 52.3 mtm-85 -71.95 -64.42 0.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.645 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -43.04 -25.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -73.47 -46.12 50.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 10.7 mmm-85 -64.24 -51.65 62.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.859 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.35 -23.71 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 0.0 110.351 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.8 -48.71 53.78 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 65' ' ' ASP . 27.7 t70 -65.79 -38.16 88.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.2 m -53.82 -67.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.855 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.49 -40.44 97.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.14 -62.56 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.939 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.2 t0 -53.85 -22.97 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -82.53 -42.17 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.695 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 62.6 t80 -64.12 -41.7 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -69.26 -59.95 2.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -50.27 -20.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.395 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 93.2 t80 -82.93 4.48 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.93 74.03 0.33 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 57.9 Cg_endo -78.82 158.72 27.83 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.954 2.436 . . . . 0.0 112.283 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -99.99 -4.02 30.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.62 31.97 5.75 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.306 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.7 p -47.02 102.91 0.33 Allowed Pre-proline 0 CA--C 1.532 0.264 0 O-C-N 123.389 0.431 . . . . 0.0 110.239 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.29 145.05 13.36 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.665 2.243 . . . . 0.0 112.769 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.8 p -75.81 -23.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.347 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.436 ' O ' ' OG ' ' A' ' 81' ' ' SER . 80.3 mt -46.03 -19.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.403 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -60.49 -60.28 4.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.4 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -45.49 -41.11 9.2 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.402 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 18.8 p -62.15 -44.99 95.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.4 m-85 -54.2 178.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 13.5 t90 65.68 -64.53 0.19 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 82' ' ' TYR . 70.0 m-20 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.03 -34.13 77.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.858 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.39 -44.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.208 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -66.0 -56.69 10.34 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.6 -21.37 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.445 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.41 -55.0 13.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 tt -53.76 -33.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.011 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 91.0 m-20 -58.55 -62.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.521 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.17 -40.9 97.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.0 tttt -62.89 -15.44 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.176 0.512 . . . . 0.0 111.057 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 10.9 pt-20 -55.31 -3.68 0.07 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.947 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 93' ' ' LYS . 14.9 t -45.75 -69.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.02 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 27.9 t30 170.04 60.18 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.482 0 O-C-N 123.587 0.554 . . . . 0.0 110.647 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.3 Cg_endo -91.07 -158.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 123.448 2.765 . . . . 0.0 112.028 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.81 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.313 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.18 -44.33 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.179 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.01 -31.84 70.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.58 -47.63 69.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.749 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -16.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.8 t . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.501 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -61.46 -42.14 98.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.647 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.41 -37.47 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.04 -40.9 82.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.16 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.64 -62.7 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.28 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -50.49 -44.96 56.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.741 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.73 -52.65 63.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.739 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.1 -38.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.97 -38.28 79.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -63.93 -41.33 97.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.4 mm? -64.49 -40.01 94.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.725 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.09 -40.47 95.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.77 -45.84 85.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.28 36.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.56 -32.94 73.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.027 0.442 . . . . 0.0 110.362 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -59.46 -27.34 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.62 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 p -72.33 -7.61 50.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.453 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -96.14 -11.72 25.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 76.96 3.67 81.32 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.563 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.5 p -60.01 66.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.4 ptmt 37.35 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.714 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 100.47 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' ' CD1' ' A' ' 32' ' ' LEU . 64.1 tttt -112.79 159.38 19.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.308 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -91.12 131.49 36.65 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.211 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.28 -41.11 13.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.686 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -52.73 -56.1 17.99 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.83 -59.07 5.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.377 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CD1' ' NZ ' ' A' ' 27' ' ' LYS . 1.7 tt -49.24 -46.0 45.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -77.08 -48.97 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.309 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 89.2 t80 -51.51 -64.19 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.811 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 21.4 t80 -57.14 -50.19 73.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.201 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 38.7 t0 -54.05 -57.88 9.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.372 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CE2' ' NE1' ' A' ' 56' ' ' TRP . 7.3 m-85 -62.69 -56.26 19.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.544 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' CYS . 14.7 t -46.8 -56.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.715 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -67.25 -44.22 79.97 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.402 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD1' ' CG1' ' A' ' 59' ' ' VAL . 37.1 t0 -60.82 -67.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.293 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -43.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.554 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.62 79.22 30.17 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.282 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.88 -19.73 9.47 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.484 2.122 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.5 m0 -121.99 -2.6 9.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.506 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.1 m-85 -142.83 65.84 16.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.421 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.17 3.06 4.9 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.983 2.456 . . . . 0.0 112.133 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -61.96 -51.28 68.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.08 -79.16 0.58 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.106 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.39 92.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -87.25 168.91 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.13 129.38 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.759 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -133.83 141.0 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.0 mt -93.21 -38.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.53 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' ARG . 79.8 mmt-85 -77.27 -64.93 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.732 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' NE1' ' CE2' ' A' ' 37' ' ' PHE . 33.1 t90 -42.22 -31.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -73.86 -44.54 55.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.022 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 90.5 mtt-85 -64.06 -54.34 35.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.141 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.429 ' CG1' ' OD1' ' A' ' 40' ' ' ASP . 76.7 t -73.48 -22.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.55 -45.69 58.44 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.7 t70 -70.9 -40.59 72.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.3 m -51.6 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.928 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.3 -45.07 89.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.397 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -66.25 -60.8 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 111.44 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ASP . 36.9 t0 -53.73 -31.51 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.346 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.25 -45.45 40.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.871 0.367 . . . . 0.0 110.96 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -63.82 -38.7 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.619 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.57 -61.06 2.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 39.9 m -46.29 -28.78 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.385 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.5 -52.65 56.78 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.437 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.25 69.03 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.5 Cg_endo -80.75 163.35 21.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.074 2.516 . . . . 0.0 112.307 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -100.92 1.24 39.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.015 0.436 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -126.4 27.59 6.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 11.2 p -45.85 102.51 0.3 Allowed Pre-proline 0 C--O 1.234 0.249 0 O-C-N 123.554 0.534 . . . . 0.0 110.315 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -81.47 149.95 16.89 Favored 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.674 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.44 -16.77 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.442 ' O ' ' OG ' ' A' ' 81' ' ' SER . 58.8 mt -48.73 -25.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.178 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.26 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.467 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -49.01 -42.88 39.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 17.5 p -59.17 -42.73 91.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.508 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.1 m-85 -57.42 -179.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.401 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.0 t90 65.4 -64.79 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.685 0.616 . . . . 0.0 110.527 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' TYR . 65.6 m-20 -61.32 -42.45 98.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.0 -36.0 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -56.28 -43.06 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.138 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -67.76 -57.15 6.81 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.64 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -59.4 -21.82 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.418 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.29 -55.72 12.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 91' ' ' ASP . 7.6 tt -53.86 -33.87 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.139 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 90' ' ' ILE . 93.7 m-20 -58.54 -63.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.15 -43.31 98.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.558 ' C ' ' H ' ' A' ' 95' ' ' VAL . 58.3 tttt -61.67 -14.75 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.685 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.54 -4.14 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.522 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.558 ' H ' ' C ' ' A' ' 93' ' ' LYS . 17.2 t -43.02 -66.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.683 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.521 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 p30 165.56 59.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.042 0.214 . . . . 0.0 110.781 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.7 Cg_endo -90.9 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 123.07 2.513 . . . . 0.0 112.427 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -61.23 -22.56 64.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.128 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.17 -44.77 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 50.6 mmm -66.84 -32.9 74.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.64 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -20.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.193 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.332 -0.19 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.262 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -61.21 -44.67 96.9 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.553 . . . . 0.0 110.175 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.19 -41.37 97.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.453 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -61.3 -39.35 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.306 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -52.57 -57.17 10.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.036 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -50.98 -43.84 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.322 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.34 -50.72 72.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.793 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -45.93 -36.29 2.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.31 -36.57 77.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.483 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.69 -41.24 83.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -63.44 -41.32 98.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.029 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -61.77 -40.68 96.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.271 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.75 -43.55 94.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -61.05 -55.33 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.7 -26.34 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.169 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -63.3 -35.1 79.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 72.1 p -69.1 -16.34 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 85.2 mtp180 -84.38 -5.3 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.62 2.32 35.25 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 ' O ' ' O ' ' A' ' 25' ' ' LYS . 8.7 p -64.0 64.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 24' ' ' VAL . 19.2 ptmt 36.49 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.476 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.43 106.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.621 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -124.02 144.73 49.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -70.07 133.27 47.01 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.209 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.92 -41.3 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.361 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 6.9 t0 -53.73 -56.0 21.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.181 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.58 -60.37 3.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.292 0.37 . . . . 0.0 111.351 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.76 -44.29 18.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -74.79 -49.41 20.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.974 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 m-85 -51.15 -67.45 0.25 Allowed 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' CE1' ' NZ ' ' A' ' 39' ' ' LYS . 51.9 t80 -44.8 -62.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 111.383 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -57.78 -61.85 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' ASP . 2.6 t80 -54.26 -67.73 0.24 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 4.9 m -42.56 -38.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.075 0.464 . . . . 0.0 111.073 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' NZ ' ' CE1' ' A' ' 35' ' ' PHE . 81.4 mttt -84.2 -21.41 31.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.324 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.5 t0 -70.99 -68.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.956 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -90.94 -4.47 10.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -134.39 56.58 18.89 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.729 0.776 . . . . 0.0 110.698 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 46.8 Cg_endo -72.21 -21.03 24.02 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.239 1.959 . . . . 0.0 112.16 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -119.84 -1.83 10.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -143.27 69.73 17.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.569 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.8 -1.04 11.22 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 123.057 2.505 . . . . 0.0 112.117 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.71 -51.05 68.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -119.5 -79.56 0.6 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.61 96.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 p -84.06 165.24 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.316 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.48 132.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.663 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -139.49 142.12 37.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.517 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -93.56 -39.25 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.63 -45.38 83.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.023 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' ARG . 93.0 mtt180 -69.95 -65.39 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.295 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 56' ' ' TRP . 43.6 t90 -42.32 -27.37 0.14 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.711 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 62.1 ttm-85 -71.56 -46.72 58.65 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.521 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 96.4 mtt-85 -63.42 -54.28 39.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.425 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.77 -23.36 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 -47.0 53.04 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.0 t70 -71.51 -43.53 66.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.4 m -49.95 -65.6 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -62.48 -47.46 83.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.231 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.48 -61.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.403 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.0 t0 -51.54 -31.94 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -77.46 -43.06 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.95 -41.69 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -75.7 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.069 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.1 m -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.73 -54.46 26.9 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.597 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.03 68.95 0.19 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.4 159.46 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.061 2.508 . . . . 0.0 112.35 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -102.27 -6.06 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -116.56 24.39 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.2 p -43.43 100.91 0.23 Allowed Pre-proline 0 CA--C 1.534 0.333 0 O-C-N 123.814 0.697 . . . . 0.0 110.041 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.83 147.65 17.14 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.859 2.373 . . . . 0.0 112.547 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.34 -20.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.483 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 84.6 mt -52.3 -22.41 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.61 -62.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -45.78 -43.55 13.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.483 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 17.6 m -57.5 -44.35 84.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -57.29 -179.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.433 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.711 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 45.9 t90 67.79 -67.07 0.19 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.448 0.467 . . . . 0.0 110.507 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.7 m-20 -61.18 -40.44 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.6 -35.35 80.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -57.93 -42.01 81.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.192 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -67.1 -59.2 3.66 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.623 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.18 -18.44 36.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.589 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.67 -54.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.682 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -58.25 -30.52 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.097 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.07 -64.8 0.81 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.043 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.56 -41.47 90.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 95' ' ' VAL . 84.3 tttt -63.81 -14.99 57.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.32 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.66 -5.17 0.52 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.936 0.398 . . . . 0.0 110.692 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 93' ' ' LYS . 18.5 t -44.69 -66.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.776 -177.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.503 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.7 t30 168.34 62.01 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.474 0.654 . . . . 0.0 110.837 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.8 Cg_endo -91.46 -159.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.301 -1.929 0 C-N-CA 122.927 2.418 . . . . 0.0 112.139 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.24 -18.3 64.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.354 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.06 -44.28 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.347 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mtp -69.51 -29.13 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.474 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -68.43 -45.48 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.459 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -14.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.252 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 101' ' ' ALA . 3.4 t . . . . . 0 C--O 1.224 -0.246 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.167 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -61.46 -40.79 95.8 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.54 -37.96 89.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.47 -40.58 95.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -49.65 -45.43 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.578 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -62.95 -51.7 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.07 -37.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.06 -37.18 75.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.8 mt-30 -66.4 -41.77 88.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.2 mm? -63.21 -39.74 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.089 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.11 -48.33 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 110.945 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -52.99 -54.94 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.87 -32.13 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.928 0.394 . . . . 0.0 110.618 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.76 -22.29 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.507 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 68.8 p -87.47 -3.38 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.503 HH22 ' CB ' ' A' ' 81' ' ' SER . 89.2 mtt180 -91.85 10.39 28.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.798 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.28 -7.45 37.81 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -62.86 145.95 13.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.666 0.269 . . . . 0.0 110.532 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 24' ' ' VAL . 5.7 ptmt -52.37 -167.59 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.91 103.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -125.56 154.86 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.8 134.66 36.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.271 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -43.06 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.132 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.1 t0 -53.18 -56.21 18.21 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -61.03 2.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.007 0.432 . . . . 0.0 111.532 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -47.99 -45.28 31.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HZ1' ' CD1' ' A' ' 89' ' ' LEU . 75.5 tttt -77.35 -49.26 15.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.917 0.389 . . . . 0.0 111.09 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 66.4 t80 -49.88 -61.09 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.537 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.18 -50.59 73.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -54.45 -60.76 2.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 56' ' ' TRP . 10.3 m-85 -61.2 -59.88 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 70.6 t -42.4 -52.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.9 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -65.15 -25.24 67.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.76 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' PHE . 56.6 t0 -85.95 -69.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.342 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 42' ' ' CYS . 1.5 pt -60.2 -43.09 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -122.82 79.97 49.42 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 121.299 0.571 . . . . 0.0 110.983 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -79.79 -23.23 7.03 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -119.55 1.15 11.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 68.2 m-85 -146.69 64.37 9.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -71.54 1.83 5.19 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.942 2.428 . . . . 0.0 112.201 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -63.77 -46.9 83.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -106.35 -79.02 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.76 117.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.66 149.37 45.52 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.76 132.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -135.44 144.42 46.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -97.18 -41.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.593 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.83 -46.69 71.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.928 0.394 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . 72.0 mmt-85 -70.93 -66.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.79 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 82' ' ' TYR . 1.3 t90 -42.12 -25.2 0.06 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -73.03 -45.17 59.19 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.14 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' ARG . 93.8 mtt-85 -64.15 -54.52 32.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -24.03 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.764 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -45.49 67.81 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.1 t70 -70.15 -42.84 71.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.991 0.424 . . . . 0.0 110.6 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -49.81 -65.01 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.78 -48.21 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.69 -61.31 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.193 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 61' ' ' ASP . 12.4 t70 -52.2 -30.4 27.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -77.26 -45.28 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.87 -40.6 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -77.68 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.6 m -45.05 -27.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.3 -53.44 43.93 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.598 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.413 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 123.53 68.75 0.22 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.8 Cg_endo -77.93 161.24 30.16 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.987 2.458 . . . . 0.0 112.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -101.48 0.52 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -124.17 27.91 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.3 p -44.88 101.06 0.24 Allowed Pre-proline 0 C--O 1.236 0.344 0 O-C-N 123.905 0.753 . . . . 0.0 109.866 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.75 153.71 17.52 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.775 2.317 . . . . 0.0 112.59 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.31 -9.9 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -50.64 -22.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.94 -61.79 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -44.78 -44.95 9.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.705 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.503 ' CB ' HH22 ' A' ' 22' ' ' ARG . 11.2 p -61.23 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 25.5 t80 -53.03 165.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.656 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 75.95 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.24 -41.14 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.32 -41.11 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.7 mm -55.37 -46.3 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.318 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -64.5 -58.04 7.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.184 0.516 . . . . 0.0 110.751 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 26.9 tp10 -57.52 -26.95 62.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.532 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.439 ' CD1' ' HZ1' ' A' ' 33' ' ' LYS . 9.0 mt -65.45 -55.97 15.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 91' ' ' ASP . 5.8 tt -51.81 -35.48 17.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 90' ' ' ILE . 64.6 m-20 -57.71 -62.84 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.224 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 60.8 mttp -63.08 -38.63 91.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' A' ' 95' ' ' VAL . 40.0 tttt -56.02 -15.2 3.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 96' ' ' ASN . 47.9 mm-40 -45.93 -7.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.601 ' H ' ' C ' ' A' ' 93' ' ' LYS . 58.1 t -43.8 -17.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER 88.09 63.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 O-C-N 123.877 0.736 . . . . 0.0 111.271 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.7 Cg_endo -89.75 -147.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 123.123 2.549 . . . . 0.0 112.036 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.72 -29.13 70.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.332 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.4 t -51.52 -45.95 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 71.8 mmm -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -66.53 -53.66 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.455 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.99 -16.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.114 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.956 0.407 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -57.49 -45.59 84.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.15 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -60.78 -35.17 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.241 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.78 -62.59 1.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.035 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -51.27 -43.84 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.023 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 92' ' ' LYS . 5.2 m-85 -60.98 -51.83 67.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -47.35 -41.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.194 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -70.95 -35.37 72.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -68.84 -43.4 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.05 -40.74 98.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.879 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.29 -38.37 89.1 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.952 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.51 -41.99 99.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.626 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -58.29 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.62 -26.09 66.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 110.031 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -64.74 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.5 p -70.24 -4.82 23.6 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.901 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.56 4.74 51.88 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.585 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.83 0.29 84.52 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p -63.6 145.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.358 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.7 ptmt -53.82 -164.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.43 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.71 101.2 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -123.61 166.53 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.396 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -91.04 131.28 36.73 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.134 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.62 -41.65 13.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.796 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.7 t0 -53.63 -50.45 65.68 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.449 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.45 -57.47 11.13 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.399 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.17 -44.13 83.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.354 -177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -74.27 -51.89 13.94 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 70.3 t80 -52.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.439 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.612 ' CD2' ' NZ ' ' A' ' 39' ' ' LYS . 50.5 t80 -41.93 -60.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.18 -58.15 9.89 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' ' NE1' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -56.56 -62.88 1.42 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.067 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -51.52 -37.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.894 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.612 ' NZ ' ' CD2' ' A' ' 35' ' ' PHE . 61.0 mttp -81.31 -22.35 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.205 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 66.6 t0 -78.28 -66.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.051 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.445 ' CD1' ' H ' ' A' ' 52' ' ' ASP . 94.8 mt -64.52 -43.14 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.574 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.93 78.97 16.77 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.311 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.67 -18.8 10.36 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.494 2.129 . . . . 0.0 112.268 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.474 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-90 -120.14 1.3 10.83 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.385 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 8.4 m-85 -151.27 63.16 5.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.6 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.51 2.79 6.49 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.251 2.634 . . . . 0.0 112.174 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -66.51 -42.81 86.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' GLY . 28.1 tt0 -123.12 10.31 9.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.155 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . -28.14 106.6 0.01 OUTLIER Glycine 0 N--CA 1.469 0.869 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 p -97.43 170.35 9.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -90.58 132.93 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' CG ' HH11 ' A' ' 55' ' ' ARG . 95.0 m-20 -137.83 141.71 40.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.276 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.3 -42.07 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.12 -46.77 76.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.47 HH11 ' CG ' ' A' ' 52' ' ' ASP . 36.8 mtm-85 -70.17 -63.96 0.98 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.616 ' NE1' ' CE1' ' A' ' 37' ' ' PHE . 50.3 t90 -43.99 -30.52 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.92 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.08 -46.29 62.14 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.515 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 83.1 mtp180 -63.61 -52.67 59.87 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.061 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 61.9 t -73.32 -22.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.71 -47.71 59.98 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.3 t70 -69.81 -39.61 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.785 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.653 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -63.71 -43.96 95.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.09 -61.02 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.1 t0 -50.92 -25.18 4.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -84.13 -42.43 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.688 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -61.51 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' PHE . 34.8 t30 -69.81 -59.97 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -49.42 -16.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.204 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 87.9 t80 -86.8 6.53 31.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.78 72.26 0.54 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.2 160.45 29.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.858 2.372 . . . . 0.0 112.167 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -100.7 -6.42 25.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -119.03 31.35 6.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.036 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -47.15 102.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.41 144.05 12.67 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.417 2.078 . . . . 0.0 113.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -27.68 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.43 -23.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.322 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.26 -62.19 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.051 0.453 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -46.52 -40.69 13.01 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.557 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 p -59.52 -44.19 93.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.672 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' ASN . 9.8 m-85 -57.16 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 47.1 t90 64.0 -67.59 0.1 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' TYR . 33.3 m-80 -60.62 -42.1 96.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.465 . . . . 0.0 110.384 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.54 -33.41 75.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.615 179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -58.11 -42.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -65.42 -55.13 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.009 -0.677 . . . . 0.0 110.634 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -61.51 -23.65 66.07 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.39 -52.03 44.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.074 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 tt -53.92 -36.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 0.0 109.582 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -57.55 -55.44 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.263 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 98.2 mttt -60.69 -37.83 82.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.185 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 95' ' ' VAL . 13.3 mmtt -59.61 -15.74 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.982 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.07 -10.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.513 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 93' ' ' LYS . 10.3 t -49.43 -66.26 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.971 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.472 ' OD1' ' SD ' ' A' ' 100' ' ' MET . 5.2 m-20 160.49 66.59 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 121.187 0.517 . . . . 0.0 109.918 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -93.69 -167.31 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 123.496 2.797 . . . . 0.0 112.013 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.49 -23.91 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.175 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -59.48 -43.48 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.996 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.472 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 63.3 ttp -65.92 -34.32 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.219 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.42 78.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.14 -20.47 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.414 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.327 -0.385 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.32 179.175 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' A' ' 7' ' ' GLN . 78.7 p -57.16 -44.73 83.73 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.075 0.464 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.57 ' N ' ' HG ' ' A' ' 6' ' ' SER . 25.7 tp60 -62.93 -36.98 85.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.069 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.62 -41.36 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.153 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.54 -62.63 1.74 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.307 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -47.17 -45.98 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.463 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.92 -50.2 74.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.077 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -44.99 -39.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.15 -39.56 82.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.72 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.72 -41.43 97.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.036 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.65 -40.46 95.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.61 -46.9 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.51 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.47 -32.66 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.554 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -59.42 -31.25 69.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.803 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 66.8 p -74.14 -9.99 59.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.803 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -89.32 -5.21 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.07 2.3 52.3 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.3 p -63.8 64.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.5 ptmt 34.8 -162.94 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.546 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.9 t -110.57 97.8 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.517 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -119.57 146.91 45.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.29 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -75.68 133.58 40.77 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.511 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.08 -42.74 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.562 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 64.6 t0 -46.73 -48.87 20.29 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.993 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.53 -60.53 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.6 mt -47.22 -47.94 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.641 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.61 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 21.9 mmtt -74.78 -48.24 26.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.765 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 78.5 t80 -51.77 -64.33 0.85 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.28 -50.91 71.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.395 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 19.7 t0 -51.34 -60.31 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.557 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 3.4 m-85 -64.06 -50.45 68.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.702 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 46.9 t -48.09 -60.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.96 -45.08 83.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 6.3 t0 -60.84 -69.1 0.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.305 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.41 -42.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.767 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -121.62 79.78 39.11 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-O 121.406 0.622 . . . . 0.0 110.909 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -81.27 -23.74 4.98 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.613 2.208 . . . . 0.0 112.561 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -119.51 -4.14 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -143.74 73.06 17.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 2.52 8.18 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.343 2.695 . . . . 0.0 111.927 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -64.42 -48.91 73.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -102.18 -79.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.707 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.32 118.39 0.07 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -122.07 167.74 12.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.757 0.313 . . . . 0.0 110.488 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -90.83 124.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.472 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -136.1 139.1 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.954 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.3 mt -93.85 -38.46 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.728 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -45.54 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 110.562 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 57' ' ' ARG . 36.9 ttm180 -68.05 -65.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.481 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -42.5 -25.36 0.08 Allowed 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.073 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -74.19 -46.14 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.933 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.8 mtp85 -63.67 -51.61 64.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.26 -22.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.3 -47.75 56.32 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 65' ' ' ASP . 16.8 t70 -67.91 -41.2 83.0 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.663 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.1 m -51.25 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.815 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.18 -46.61 88.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.93 -62.43 1.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.033 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.6 t0 -51.32 -25.0 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.479 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -82.42 -42.69 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 79.6 t80 -61.51 -42.38 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.425 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -70.13 -58.85 3.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -51.14 -19.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 89.0 t80 -81.39 3.41 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.78 72.41 0.55 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.2 Cg_endo -77.34 159.24 32.99 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 123.016 2.477 . . . . 0.0 112.288 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -102.12 -3.96 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -121.07 30.22 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -46.35 102.68 0.32 Allowed Pre-proline 0 C--O 1.235 0.34 0 O-C-N 123.709 0.631 . . . . 0.0 110.125 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.91 152.27 16.74 Favored 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 122.921 2.414 . . . . 0.0 112.601 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -79.34 -7.28 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.04 -20.89 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.456 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -63.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -43.76 -44.38 6.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.531 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -60.58 -43.43 97.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -55.71 164.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.12 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.71 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.1 t90 78.84 -65.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.9 -41.83 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.9 -41.02 92.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.9 mm -50.63 -51.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.715 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.59 -53.92 47.32 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.25 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.67 -25.81 60.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.74 -59.91 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 5.7 tt -53.59 -36.86 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.609 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.416 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 85.5 m-20 -58.34 -65.21 0.69 Allowed 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.498 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.66 -15.55 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 95' ' ' VAL . 8.2 mtpt -89.21 -11.66 43.05 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -51.86 -11.08 0.13 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -47.63 -66.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -178.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.431 ' H ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 166.32 66.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 178.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 37.4 Cg_endo -91.48 -164.96 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.165 2.577 . . . . 0.0 112.086 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.77 -26.37 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.203 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.89 -43.23 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.044 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.5 ttm -66.09 -35.63 81.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.076 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.89 75.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -20.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.107 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.528 0.106 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.292 179.508 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -58.9 -44.3 91.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.9 -37.9 86.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.16 -39.61 79.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.26 -64.34 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -46.54 -47.98 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.4 m-85 -61.54 -53.51 55.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.527 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -42.75 -40.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.13 -37.52 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -64.87 -44.31 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -62.07 -40.26 95.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.56 -43.6 96.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.78 -44.68 82.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.67 -54.24 48.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.592 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' CD2' ' NH2' ' A' ' 22' ' ' ARG . 53.6 mt -65.09 -31.92 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.85 -27.54 66.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 63.2 p -79.82 -4.46 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH2' ' CD2' ' A' ' 19' ' ' LEU . 97.3 mtt180 -95.42 -2.23 49.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 71.56 -2.34 23.23 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.634 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.5 p -63.26 67.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.629 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.3 ptmt 35.02 -167.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.571 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.76 106.71 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.546 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -117.87 154.98 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.0 133.73 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.23 -39.86 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.531 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.6 t70 -52.64 -59.26 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.91 -61.02 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.65 -46.47 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -77.68 -49.43 14.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 63.3 t80 -49.88 -62.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.71 -52.77 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 62.5 t0 -51.76 -60.53 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.74 -52.28 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.635 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 48.8 t -47.81 -59.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -66.4 -43.32 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -60.72 -71.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.14 -42.82 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.99 80.2 34.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 -178.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.19 -19.92 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.81 2.34 . . . . 0.0 112.096 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -125.42 -2.92 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -140.78 68.77 30.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -77.18 2.42 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.789 2.326 . . . . 0.0 112.1 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.11 -51.72 66.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -121.63 -83.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 102.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -86.47 168.34 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.556 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -87.97 128.33 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -133.85 140.9 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -91.34 -33.99 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.75 -45.08 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.531 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 58' ' ' ARG . 78.8 mtp85 -71.01 -68.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.459 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 14.9 t90 -38.36 -27.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttp180 -74.86 -45.69 41.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 55' ' ' ARG . 99.6 mtt180 -63.85 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.0 -25.04 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -45.4 79.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASP . 23.8 t70 -70.2 -40.84 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.4 m -51.19 -67.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.56 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.618 HE21 HD22 ' A' ' 68' ' ' ASN . 62.1 tp60 -63.64 -62.06 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.4 t0 -53.8 -23.49 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -83.77 -43.43 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 69.3 t80 -62.54 -38.67 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.618 HD22 HE21 ' A' ' 64' ' ' GLN . 96.4 m-20 -72.99 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -50.95 -18.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 88.9 t80 -84.94 4.2 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.0 75.0 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.8 Cg_endo -79.65 164.83 23.11 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.733 2.289 . . . . 0.0 112.162 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -100.6 -3.02 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 70.3 mmtt -127.8 33.41 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.599 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 11.3 p -44.57 102.22 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 56.7 Cg_endo -82.15 141.97 11.93 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.858 2.372 . . . . 0.0 112.134 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.07 -19.3 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -47.36 -21.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.586 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.92 -61.58 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -46.51 -42.52 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -59.83 -43.76 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -56.55 177.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.62 -65.95 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -61.17 -41.5 96.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.4 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.65 -43.03 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -67.49 -60.44 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.43 -18.67 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.22 -55.51 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.445 HG21 ' N ' ' A' ' 91' ' ' ASP . 7.8 tt -52.56 -33.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' HG21 ' A' ' 90' ' ' ILE . 84.3 m-20 -60.57 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.85 -40.94 99.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' C ' ' H ' ' A' ' 95' ' ' VAL . 61.7 tttt -65.94 -15.35 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.25 -1.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.627 ' H ' ' C ' ' A' ' 93' ' ' LYS . 5.4 t -42.1 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.588 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER 165.63 60.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 178.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.588 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.9 Cg_endo -90.32 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.81 2.34 . . . . 0.0 112.112 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -61.59 -18.54 59.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.545 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.83 -44.35 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 74.8 mtp -69.86 -31.96 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.24 -53.7 40.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.06 -22.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -55.35 -38.29 68.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.382 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.48 -39.59 92.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -55.99 -38.25 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.099 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -65.3 -64.54 0.84 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.202 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -46.0 -48.45 16.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.24 -51.67 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.77 -41.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.329 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -66.01 -37.2 85.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.28 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -66.23 -42.48 88.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.92 -39.49 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.0 -42.37 99.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -55.32 -50.95 68.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.963 0.411 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.19 -56.72 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.043 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.85 -36.16 80.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.63 -16.54 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 26.2 p -85.53 -3.81 58.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.289 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -93.4 1.54 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.664 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.27 0.25 89.57 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -62.64 147.81 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.402 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' VAL . 3.2 ptmt -53.53 -168.22 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.676 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.17 101.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -125.91 144.63 50.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.49 136.39 45.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.58 -41.59 13.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.534 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 24.4 t0 -54.48 -55.8 25.32 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.748 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.23 -60.65 3.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 57.7 tp -48.33 -44.5 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -78.71 -49.37 13.21 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.071 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 84.5 t80 -51.66 -59.13 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.605 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -52.19 66.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.709 0.29 . . . . 0.0 110.855 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 98.4 m-20 -54.44 -59.57 4.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.076 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.53 -58.86 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.452 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 50.4 t -43.64 -59.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.71 -43.55 96.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 67.4 t0 -62.15 -70.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.96 -41.66 89.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.92 81.15 34.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 111.127 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -82.99 -20.8 5.05 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 122.81 2.34 . . . . 0.0 112.432 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -117.02 -6.8 11.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.986 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 10.7 p90 -148.16 76.71 10.23 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -80.47 4.3 6.98 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.257 2.638 . . . . 0.0 112.092 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.62 -50.81 67.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.559 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -101.29 -78.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.298 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.17 104.34 0.05 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -105.6 169.82 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pp -90.71 123.45 42.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -131.26 141.67 50.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mt -91.83 -37.28 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.4 -47.95 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 83.6 mtp180 -69.46 -66.88 0.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.644 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -41.6 -28.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -74.87 -45.48 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.712 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.497 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 44.0 ttm180 -64.86 -54.84 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 -178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 62.0 t -73.27 -24.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -43.03 92.23 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.2 t70 -71.18 -38.86 72.12 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.344 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 80.3 m -50.46 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -63.37 -46.13 87.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -62.78 -61.82 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.5 t0 -52.7 -21.49 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -85.42 -41.4 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.98 -40.43 96.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.266 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -71.66 -57.2 4.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 25.9 m -52.95 -16.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 77.5 t80 -85.51 3.13 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.774 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.16 71.16 0.77 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.99 159.33 30.67 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 111.996 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -101.16 1.54 39.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -126.61 26.97 6.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.615 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 12.0 p -43.98 100.8 0.23 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.284 0.564 . . . . 0.0 110.125 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.6 150.95 19.34 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.962 2.441 . . . . 0.0 112.505 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.1 -5.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.438 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.445 ' O ' ' OG ' ' A' ' 81' ' ' SER . 77.0 mt -52.47 -24.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -61.59 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -43.79 -46.91 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 24.7 p -59.38 -45.17 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -55.06 163.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.423 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.637 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t90 79.18 -64.69 0.23 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.45 -42.99 99.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.628 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.67 -41.23 98.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -52.53 -47.21 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.524 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -67.1 -59.37 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -54.98 -24.86 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.765 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.71 -55.39 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.333 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 6.3 tt -53.01 -35.82 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.481 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 84.9 m-20 -59.39 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.365 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.02 -33.92 53.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.493 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 95' ' ' VAL . 5.1 mmtt -61.33 -21.71 64.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -45.68 -13.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.953 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' LYS . 60.7 t -46.51 -68.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.736 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.447 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.9 p30 165.79 65.34 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.218 0.532 . . . . 0.0 110.592 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -92.06 -170.38 0.31 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 123.418 2.745 . . . . 0.0 112.307 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -67.61 -24.98 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.08 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -44.54 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.502 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mtp -71.38 -33.08 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.184 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -62.32 -51.23 68.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.148 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.18 -16.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.978 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.3 t . . . . . 0 N--CA 1.463 0.21 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.419 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.835 0.35 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -60.59 -40.16 90.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.56 -39.02 88.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.4 -39.05 89.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.36 -62.95 1.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -48.02 -44.64 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.98 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.56 -37.49 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.45 -37.43 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.9 -40.85 91.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.4 mm? -63.56 -40.21 96.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.58 -40.43 94.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.53 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.01 -45.8 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.79 -56.62 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -62.34 -33.84 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.82 -26.83 64.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.562 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 43.1 p -80.73 -8.3 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -87.69 2.2 51.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 0.46 87.09 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -63.22 146.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.6 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.2 ptmt -53.46 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.68 100.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.57 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -121.78 148.34 44.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -74.09 132.1 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.65 -40.94 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.9 t70 -52.97 -56.91 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.33 -59.69 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.19 -44.99 22.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -78.24 -50.58 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 85.9 t80 -49.8 -63.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.583 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.06 -52.55 65.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -52.91 -59.89 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.46 -53.86 48.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.503 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 52.5 t -45.84 -58.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -65.2 -42.77 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' C ' ' A' ' 40' ' ' ASP . 54.7 t0 -62.13 -71.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.23 -43.92 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.99 81.62 27.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 -178.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.24 -19.78 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.808 2.338 . . . . 0.0 112.066 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.72 -1.11 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.71 68.54 19.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -77.27 1.83 8.32 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.859 2.372 . . . . 0.0 112.036 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.75 -52.89 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -121.79 -81.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.85 98.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 p -80.47 170.02 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.99 130.47 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 99.9 m-20 -133.46 142.79 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.5 mt -91.02 -33.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.31 -48.16 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' ARG . 84.4 mtt85 -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ARG . 59.6 t-105 -37.91 -34.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -74.29 -42.89 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' ARG . 41.4 ttm180 -65.69 -58.6 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.34 -23.44 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.36 -46.14 65.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -69.26 -37.55 77.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 80.8 m -52.99 -67.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.2 -44.79 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -64.25 -63.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ASP . 21.9 t0 -54.36 -20.0 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.597 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -86.46 -41.67 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 84.3 t80 -62.75 -38.9 92.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.73 -57.46 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.1 m -50.52 -17.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 70' ' ' PHE . 89.5 t80 -84.15 2.82 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.96 67.87 1.99 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.444 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.5 Cg_endo -77.77 160.02 31.19 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.844 2.363 . . . . 0.0 112.115 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -100.89 1.93 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 64.9 mmtt -127.07 29.85 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.64 102.57 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 59.9 Cg_endo -82.12 143.99 13.07 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.842 2.361 . . . . 0.0 112.062 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.81 -11.15 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.67 -22.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.536 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.33 -63.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.538 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -47.54 -42.51 23.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -58.84 -45.23 90.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.6 m-85 -54.62 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.632 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 44.7 t90 64.06 -63.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 82' ' ' TYR . 44.1 m-20 -61.45 -41.04 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.49 -34.18 75.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.0 mm -56.71 -42.21 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -66.69 -61.33 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.25 -18.01 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.07 -54.15 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.4 tt -55.13 -29.13 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -64.07 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.507 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.21 -42.18 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.592 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.7 tttt -62.6 -16.97 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.73 -2.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.1 t -43.9 -69.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.632 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t30 168.77 59.56 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.632 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.7 Cg_endo -90.84 -156.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.703 2.269 . . . . 0.0 112.155 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -62.24 -20.44 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.12 -44.7 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtp -67.42 -31.7 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.47 -50.82 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.03 -20.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.813 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.729 0.3 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -59.12 -41.42 88.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.73 -38.84 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.556 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.19 -36.99 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.71 -65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -46.0 -47.9 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.2 m-85 -61.4 -51.51 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.611 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -44.07 -36.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -68.06 -39.06 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.5 mt-30 -64.02 -42.49 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.38 -40.29 96.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.325 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.77 -44.64 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -56.68 -43.67 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.69 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.22 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.44 -21.68 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 62.1 p -87.67 -2.12 58.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -92.93 7.89 42.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.515 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.0 -3.03 58.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -65.85 148.53 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.609 -179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 ptmt -52.49 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.37 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.53 154.48 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.27 133.33 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.528 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -42.44 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 53.5 t0 -52.23 -57.49 9.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.055 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.02 -60.55 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -178.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -46.71 -45.49 19.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -78.52 -51.18 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 86.3 t80 -49.61 -61.94 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -52.21 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 61.2 t0 -52.41 -59.55 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -178.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -62.95 -55.4 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -178.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 41.8 t -42.92 -62.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 -179.187 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -63.33 -46.55 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.555 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 63.2 t0 -57.56 -71.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.69 -43.16 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.99 80.02 25.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 -179.267 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.01 -20.03 6.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.818 2.345 . . . . 0.0 112.102 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -120.41 -10.56 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -139.46 73.55 35.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 -178.753 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.14 3.04 7.97 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.805 2.337 . . . . 0.0 112.162 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.61 -51.53 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -101.41 -77.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.99 114.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.6 p -126.93 161.78 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.49 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.572 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -135.39 141.2 45.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.71 -39.45 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -178.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.05 -47.74 70.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.7 mtt180 -68.03 -67.31 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 72.2 t-105 -38.48 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.602 179.11 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.9 ttt-85 -72.0 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 60.2 ttp180 -67.5 -56.5 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.509 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.08 -26.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.72 83.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.1 t70 -68.05 -38.82 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 0.0 110.569 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 72.4 m -51.56 -68.15 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.506 -179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.94 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.76 -62.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.7 t0 -51.34 -23.01 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.566 -179.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.13 -45.33 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.86 -43.13 90.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -71.11 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.565 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -51.43 -17.47 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.535 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 85.0 t80 -84.55 2.22 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.28 73.88 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -79.26 161.35 25.99 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.784 2.323 . . . . 0.0 112.138 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -102.62 -3.13 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 64.9 mmtt -125.22 33.62 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.333 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.6 p -44.72 101.86 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 58.8 Cg_endo -83.4 148.1 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.8 2.333 . . . . 0.0 112.151 -178.384 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 p -76.26 -15.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.414 ' O ' ' OG ' ' A' ' 81' ' ' SER . 71.0 mt -45.93 -22.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -43.06 -44.05 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 7.1 p -61.52 -43.22 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CD2' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -58.08 163.97 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.68 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.734 ' N ' ' CD2' ' A' ' 82' ' ' TYR . 1.5 t90 79.47 -68.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.12 -41.25 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.3 mm -54.34 -44.71 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.551 -178.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -66.34 -61.02 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.582 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -55.73 -22.83 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.55 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.1 -57.25 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.516 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.6 tt -53.55 -30.41 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -63.9 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.564 -179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -42.16 88.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.7 tttt -60.22 -17.98 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -54.62 -6.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 93' ' ' LYS . 98.4 t -41.0 -67.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -178.578 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.599 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 164.86 60.9 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 178.653 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.599 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.75 -160.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.86 2.373 . . . . 0.0 112.139 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -62.97 -21.12 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.49 -44.42 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.1 mmm -69.77 -29.55 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.75 -49.37 59.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.24 -17.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.732 0.301 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -61.15 -36.28 79.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.72 -41.95 74.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -57.75 -36.98 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.5 -64.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -49.13 -46.3 44.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.287 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.3 m-85 -61.55 -53.79 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.52 -37.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.9 -37.25 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.6 mt-30 -65.83 -41.92 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.66 -40.22 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.49 -41.32 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -56.24 -47.67 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.57 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.98 -34.66 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.324 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -59.53 -22.57 61.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 p -80.04 -5.44 55.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -91.85 -2.11 57.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.16 1.21 90.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -61.7 147.14 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.378 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.2 ptmt -53.29 -167.68 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.7 t -104.91 100.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.573 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -120.61 149.24 42.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -76.68 132.25 39.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.83 -42.03 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.144 0.497 . . . . 0.0 110.975 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.9 t0 -53.1 -56.34 16.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.945 -178.167 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.05 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -178.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 47.0 tp -46.46 -44.84 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HZ3' HD13 ' A' ' 89' ' ' LEU . 74.3 tttt -79.29 -49.19 12.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.398 -178.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 84.6 t80 -53.09 -56.4 16.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.728 -178.63 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.77 -54.54 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 99.3 m-20 -51.45 -56.65 12.1 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -178.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.83 -52.83 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 42' ' ' CYS . 29.0 t -49.3 -58.86 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -66.09 -44.8 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 65.8 t0 -60.29 -69.84 0.2 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.95 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.02 -42.02 93.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.274 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -122.97 80.07 50.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 -179.421 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -81.03 -19.01 8.52 Favored 'Trans proline' 0 C--N 1.303 -1.859 0 C-N-CA 122.836 2.357 . . . . 0.0 112.163 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -120.16 -2.31 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 65.4 m-85 -146.34 73.11 13.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.722 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.2 3.17 6.92 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.977 2.452 . . . . 0.0 112.348 -179.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -119.83 -79.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.31 92.28 0.05 OUTLIER Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 p -84.16 163.73 19.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 110.525 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -78.4 126.74 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -129.24 141.73 51.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.41 -36.8 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.92 -48.96 69.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' ARG . 96.0 mtt-85 -69.74 -66.85 0.54 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 65.6 t-105 -39.77 -33.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.128 -179.114 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.521 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 76.6 ttt180 -75.26 -43.47 51.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.0 ttm-85 -64.58 -58.4 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.24 -22.38 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -43.65 70.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.2 t70 -71.37 -39.51 71.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.888 0.375 . . . . 0.0 110.686 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -51.36 -66.22 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.7 -46.75 86.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.23 -63.09 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' ASP . 31.1 t0 -53.99 -20.3 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -85.54 -41.92 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.78 -38.64 91.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -73.0 -54.71 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 26.2 m -50.41 -18.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 89.2 t80 -85.11 3.25 39.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.42 67.25 2.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.69 161.7 33.52 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.828 2.352 . . . . 0.0 112.324 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -102.31 3.5 38.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 179.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 8.8 mptt -126.2 26.1 6.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.732 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 13.2 p -46.43 103.24 0.34 Allowed Pre-proline 0 N--CA 1.455 -0.211 0 CA-C-O 121.3 0.572 . . . . 0.0 110.452 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 67.1 Cg_endo -80.86 149.43 17.97 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.748 2.298 . . . . 0.0 112.51 -179.025 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.3 p -79.98 -13.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.477 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 ' O ' ' OG ' ' A' ' 81' ' ' SER . 60.8 mt -50.43 -23.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -178.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -62.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -178.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -48.81 -44.4 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.532 -179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 71.3 p -59.56 -39.64 84.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.653 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.6 OUTLIER -60.41 -176.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.54 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.521 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 54.2 t90 63.16 -63.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.9 m120 -60.94 -42.71 98.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.39 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.53 -35.57 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.648 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.46 -41.49 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.28 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.14 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.62 -19.31 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.395 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD13 ' HZ3' ' A' ' 33' ' ' LYS . 6.3 mt -69.93 -55.26 10.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 91' ' ' ASP . 10.4 tt -54.06 -34.34 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.496 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 90' ' ' ILE . 94.5 m-20 -59.44 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.33 -41.47 93.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.478 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.586 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.0 tttt -64.59 -15.13 60.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -54.15 -4.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 93' ' ' LYS . 47.9 t -43.69 -70.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.978 -177.488 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.635 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 t30 170.94 58.9 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.635 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.2 Cg_endo -91.0 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.85 0 C-N-CA 122.694 2.262 . . . . 0.0 112.0 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.91 -26.1 67.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -43.9 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.41 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.7 -34.26 75.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.524 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -51.95 60.5 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.6 -19.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.455 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.262 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.818 0.342 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -60.0 -44.1 94.75 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.364 0.602 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.106 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.36 -42.47 87.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 109.977 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -50.45 -58.94 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -51.31 -43.77 61.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.579 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.28 -51.19 70.36 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.356 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.0 -37.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.65 -43.97 65.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -65.61 -39.77 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.221 0.534 . . . . 0.0 110.822 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.58 -40.47 97.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.107 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.68 -37.12 85.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.135 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.25 -44.9 94.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.43 58.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -65.39 -27.07 68.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.95 -27.78 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.539 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.2 p -83.01 -4.77 58.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 24' ' ' VAL . 97.0 mtt-85 -89.62 7.23 37.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.559 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 66.29 -5.13 2.27 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 24' ' ' VAL . 9.2 p -63.36 61.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' GLY . 16.3 ptmt 35.19 -161.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.452 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -112.29 101.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.525 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -115.42 148.45 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.41 135.04 35.64 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.637 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.84 -32.24 19.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.327 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 31.9 t0 -52.6 -60.15 3.6 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -177.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.97 -61.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.574 0.546 . . . . 0.0 111.844 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.9 tp -44.76 -49.71 10.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -72.67 -46.58 53.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 2.6 m-85 -50.06 -65.16 0.61 Allowed 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.358 -178.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.46 -57.16 11.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.642 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.41 -61.41 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.683 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.81 -53.68 54.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 41.6 t -43.05 -53.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.263 0.554 . . . . 0.0 110.55 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -66.81 -35.57 80.37 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.081 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 26.0 t0 -65.39 -68.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.422 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -84.28 15.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 0.0 110.803 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' SG ' ' C ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -165.98 64.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.896 0.855 . . . . 0.0 111.283 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.88 -35.61 1.37 Allowed 'Trans proline' 0 C--N 1.299 -2.047 0 C-N-CA 122.108 1.872 . . . . 0.0 112.82 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.87 -2.55 8.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -141.15 72.91 26.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.949 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -76.1 4.95 4.86 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 123.674 2.916 . . . . 0.0 112.217 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -64.48 -49.85 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.397 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.96 -83.99 0.54 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.54 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.69 109.88 0.14 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 p -112.04 163.64 14.05 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.959 0.409 . . . . 0.0 110.59 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -84.05 125.57 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -139.0 140.93 38.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.241 179.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.8 mt -94.05 -40.74 11.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.59 -45.02 84.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 57' ' ' ARG . 94.8 mtt-85 -71.63 -65.86 0.7 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.057 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CD1' ' OD2' ' A' ' 40' ' ' ASP . 80.8 t90 -43.45 -25.44 0.15 Allowed 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 55' ' ' ARG . 42.3 ttm180 -75.34 -47.7 26.47 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -61.23 -50.38 73.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.703 -179.18 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -77.04 -21.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.56 55.18 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.0 t70 -71.4 -43.16 67.35 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 83.5 m -49.76 -64.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.5 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.68 -47.9 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -63.98 -61.13 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -178.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.0 t0 -52.91 -36.19 59.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.15 -43.1 75.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -66.1 -38.75 89.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.901 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.73 -61.11 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 27.8 m -44.99 -29.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.327 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.27 -51.83 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.409 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.09 69.57 0.33 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.0 Cg_endo -79.67 163.3 24.0 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.086 2.524 . . . . 0.0 112.482 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -100.37 1.61 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.498 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -126.57 26.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.2 p -43.93 100.54 0.23 Allowed Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 123.797 0.685 . . . . 0.0 110.133 -178.198 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -82.17 151.87 16.05 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.838 2.359 . . . . 0.0 112.486 -179.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.84 -17.88 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 83.6 mt -48.41 -22.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.436 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -53.29 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.362 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -46.99 -50.04 19.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -64.33 -21.93 66.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.661 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 83' ' ' TRP . 1.7 m-85 -87.03 85.95 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 160.81 -62.01 0.0 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 71.9 m-20 -60.84 -38.66 86.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.513 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.92 -37.83 88.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.609 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -53.83 -50.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -59.79 -53.45 57.79 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -60.21 -21.59 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.16 -58.63 6.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -178.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.44 -34.33 34.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -59.19 -65.7 0.63 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.455 -178.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.06 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 95' ' ' VAL . 84.1 tttt -60.51 -11.88 8.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.257 0.551 . . . . 0.0 110.369 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -59.64 -6.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -43.7 -67.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.102 -177.43 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.513 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.7 p30 167.75 60.95 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 111.091 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -90.85 -157.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.157 2.571 . . . . 0.0 111.934 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.34 -25.92 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.958 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.996 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.88 -32.81 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.299 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.23 68.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.05 -19.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.073 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.224 -0.267 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.082 179.604 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -60.98 -41.49 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.96 -40.46 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.72 -44.69 86.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -53.66 -61.21 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -48.79 -44.98 39.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -61.31 -52.65 63.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.47 -34.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.52 -37.9 71.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.4 mt-30 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.4 mm? -63.9 -39.7 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.02 -40.78 98.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -56.89 -48.36 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 -179.133 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -57.57 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -64.45 -32.17 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.582 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -61.12 -17.85 54.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 31.3 p -86.31 -2.61 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -92.0 6.43 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.32 83.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.37 146.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.542 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.54 -164.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -103.32 97.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 68.1 tttt -116.4 167.23 11.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.607 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.8 m-85 -97.67 131.44 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.625 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.69 -35.69 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.1 t0 -51.29 -57.58 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.93 -62.95 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.7 mt -46.16 -47.59 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.67 -48.37 22.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 77.3 t80 -51.88 -55.49 19.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 -178.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.85 -56.62 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -59.6 -63.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.079 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.78 -25.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -178.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.531 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 25.0 t -86.11 -63.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -177.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -63.85 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 61.1 t0 -54.59 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -178.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.29 -43.08 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.03 80.66 18.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 -178.384 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -79.39 -21.78 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.829 2.353 . . . . 0.0 112.104 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -125.09 0.24 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -142.13 67.05 21.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.81 -2.01 12.2 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.853 2.369 . . . . 0.0 112.138 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -63.25 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -105.23 -81.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.75 104.23 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 p -101.06 168.87 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.19 124.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -136.55 141.18 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.1 -34.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.3 -44.79 74.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.551 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 92.1 mtt-85 -69.52 -68.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 8.3 t-105 -41.12 -27.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.572 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ARG . 73.8 ttt-85 -73.64 -47.29 41.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 61.4 ttp180 -64.78 -53.78 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.665 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.42 -24.37 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.49 92.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.4 t70 -72.92 -35.96 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.048 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 80.7 m -52.81 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -63.75 -42.54 97.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.515 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.58 -61.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.619 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.3 t0 -53.77 -21.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -86.37 -40.72 15.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 64.7 t80 -63.71 -39.37 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.89 -59.26 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -52.16 -16.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 74.3 t80 -87.09 5.35 38.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.44 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.0 Cg_endo -79.6 160.49 25.16 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.831 2.354 . . . . 0.0 112.132 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -99.26 -2.98 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.4 mmtt -125.82 31.3 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 8.5 p -43.26 100.4 0.22 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.1 Cg_endo -82.35 144.41 12.95 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.835 2.357 . . . . 0.0 112.139 -178.254 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 79' ' ' ALA . 13.3 p -74.53 -23.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.595 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.76 -20.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.62 -62.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -47.0 -43.36 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -57.14 -44.21 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -179.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 68.53 -72.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 -179.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -60.62 -39.31 87.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.54 -43.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -67.35 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.615 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.36 -17.63 8.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.32 -53.67 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 91' ' ' ASP . 6.5 tt -54.68 -32.21 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 90' ' ' ILE . 92.7 m-20 -62.6 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.72 -39.58 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.9 tttt -67.81 -16.16 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -55.46 -5.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 93' ' ' LYS . 61.3 t -40.77 -68.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 -178.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.614 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.3 p30 165.58 60.15 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 178.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.5 Cg_endo -89.45 -159.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.874 2.383 . . . . 0.0 112.094 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.9 -23.44 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 178.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.09 -43.73 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.3 ttp -67.45 -35.13 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.18 -20.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' ALA . 5.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.735 0.302 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -55.24 -44.13 75.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.572 178.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.03 -39.9 90.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 178.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -59.32 -33.22 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.11 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.598 ' NH2' ' NE2' ' A' ' 14' ' ' GLN . 78.0 ttt-85 -53.38 -47.61 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -60.64 -53.48 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -43.01 -35.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -72.31 -32.32 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 -178.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.598 ' NE2' ' NH2' ' A' ' 10' ' ' ARG . 86.0 mt-30 -70.57 -43.3 69.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.68 -41.03 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -62.53 -39.0 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.19 -42.33 99.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.552 -179.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.7 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.35 -25.91 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -66.35 -30.46 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.6 p -75.44 -4.13 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -92.76 5.03 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.526 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -2.78 53.12 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.2 p -66.41 151.21 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.578 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.1 ptmt -52.24 -167.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.77 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -124.06 148.97 46.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -71.26 134.26 46.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.14 11.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 29.6 t0 -47.31 -49.3 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.196 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.98 -60.95 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -178.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 45.2 tp -45.3 -47.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 15.0 mmtt -76.96 -50.09 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 56.8 t80 -47.63 -64.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.016 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.4 t80 -57.49 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -178.166 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 m-20 -49.51 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -177.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 m-85 -64.52 -50.72 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 -177.488 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 50.5 t -48.4 -60.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -178.642 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -65.99 -40.91 91.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -178.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 47.9 t0 -64.72 -70.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -177.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.38 -42.75 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.82 78.78 23.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -178.663 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -78.28 -22.77 9.4 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.827 2.351 . . . . 0.0 112.098 178.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -123.44 2.4 9.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -144.79 68.18 14.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.92 0.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.797 2.332 . . . . 0.0 112.109 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.1 -51.38 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -103.97 -78.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.83 115.12 0.04 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 p -117.25 166.4 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.535 179.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -86.43 127.14 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -134.48 140.63 46.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -95.74 -39.72 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.19 -48.7 67.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.4 mtp180 -67.9 -68.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 69.9 t90 -38.47 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.599 HH12 ' HE1' ' A' ' 83' ' ' TRP . 56.2 ttm-85 -74.37 -46.2 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttt85 -63.39 -53.9 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.37 -20.79 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.09 -47.88 35.3 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 65' ' ' ASP . 17.0 t70 -66.59 -40.18 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.596 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.8 m -52.09 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.1 -46.43 89.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.591 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.67 -63.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -178.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.0 t0 -49.66 -23.99 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 179.828 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -86.97 -35.37 18.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -67.61 -43.68 79.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.532 ' CG ' ' H ' ' A' ' 69' ' ' THR . 24.9 p-10 -72.41 -58.54 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.532 ' H ' ' CG ' ' A' ' 68' ' ' ASN . 44.7 m -48.01 -18.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 84.1 t80 -84.58 4.85 30.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 51.98 71.21 0.7 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.47 161.2 31.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.742 2.294 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -103.04 -1.9 28.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 65.9 mmtt -121.2 29.91 7.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.148 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.3 p -44.41 101.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -178.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 58.1 Cg_endo -83.14 144.49 11.85 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.743 2.295 . . . . 0.0 112.07 -178.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.71 -16.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.45 -20.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 -179.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.539 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -44.32 -43.8 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 179.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 m -59.37 -44.4 92.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -53.65 177.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.096 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' HE1' HH12 ' A' ' 57' ' ' ARG . 51.5 t90 64.97 -63.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.535 ' OD1' ' CZ3' ' A' ' 83' ' ' TRP . 41.2 m-20 -59.99 -43.16 95.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.35 -37.4 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 86' ' ' ILE . 22.6 mm -55.11 -44.79 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -178.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -62.03 -58.89 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.547 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.91 -19.22 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -59.01 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -52.17 -35.75 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.028 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 90' ' ' ILE . 78.3 m-20 -57.44 -64.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.09 -36.96 71.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.612 ' C ' ' H ' ' A' ' 95' ' ' VAL . 6.1 mttp -64.92 -12.06 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -48.42 -7.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 93' ' ' LYS . 15.5 t -52.89 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 5.9 t30 163.59 68.58 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.2 Cg_endo -90.24 -163.74 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.854 2.369 . . . . 0.0 112.067 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.5 -27.8 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.52 -44.74 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 36.5 ttp -67.67 -31.09 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -68.69 -49.19 60.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.53 -13.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.812 0.339 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -61.12 -40.55 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -64.41 -38.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -57.65 -40.77 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -47.51 -50.11 24.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -59.31 -54.31 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.27 -38.77 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.95 -36.77 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -66.0 -41.22 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.551 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -63.87 -39.45 94.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.562 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -62.08 -42.74 99.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -55.01 -51.99 64.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -53.85 -57.06 12.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 -179.552 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.39 -35.14 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.05 -15.17 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 30.5 p -86.75 -2.63 58.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -95.91 1.55 53.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.32 2.66 90.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.9 p -64.05 144.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.7 ptmt -52.08 -165.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.17 103.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -124.62 153.27 42.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -77.49 131.19 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -41.8 12.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -54.14 -57.72 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.28 -62.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.49 -44.29 25.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -178.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -78.68 -52.63 8.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -178.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 91.2 t80 -52.43 -54.52 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' ' CE ' ' A' ' 39' ' ' LYS . 5.8 t80 -60.65 -57.98 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -178.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -51.32 -57.09 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -178.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.01 -56.62 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -178.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 44.9 t -44.05 -51.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CE ' ' CZ ' ' A' ' 35' ' ' PHE . 38.0 mttm -66.49 -44.68 81.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' OD2' ' A' ' 40' ' ' ASP . 60.8 t0 -62.57 -71.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -178.168 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.23 -44.01 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -122.03 81.01 43.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 -178.744 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -81.65 -22.72 5.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 0.0 112.174 179.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.29 -3.35 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -145.45 75.05 13.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.535 -179.302 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -79.83 3.25 7.73 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -61.53 -52.4 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -121.74 -82.67 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.2 103.58 0.03 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 178.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 p -86.57 165.96 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.559 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.56 131.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 143.06 44.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.7 mt -94.03 -34.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.86 -47.67 68.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.514 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.6 mtp180 -68.76 -68.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 -179.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.5 t90 -38.89 -27.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.785 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -73.93 -46.22 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 76.4 ttt-85 -64.97 -52.95 53.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.169 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.3 -24.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -43.46 78.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' ASP . 5.1 t70 -73.11 -40.37 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.567 -179.006 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.9 m -50.01 -66.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.139 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -64.6 -47.09 79.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 82' ' ' TYR . 52.8 tt0 -63.55 -61.82 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -178.138 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASP . 23.8 t0 -55.26 -26.89 42.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -80.91 -46.04 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -64.6 -40.1 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -76.33 -62.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 -178.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 88.9 m -43.69 -29.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.42 -55.12 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.415 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.73 68.65 0.26 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.532 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.3 Cg_endo -77.36 164.54 28.75 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.843 2.362 . . . . 0.0 112.094 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -101.41 -1.13 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.6 mmtt -123.34 25.88 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 12.7 p -44.4 102.65 0.3 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.9 Cg_endo -82.53 150.59 14.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.797 2.332 . . . . 0.0 112.075 -179.085 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.55 -25.99 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.561 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.412 ' O ' ' OG ' ' A' ' 81' ' ' SER . 80.8 mt -45.16 -28.4 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.577 ' O ' ' CD1' ' A' ' 82' ' ' TYR . . . -48.86 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' A' ' 82' ' ' TYR . 55.1 m-85 -46.35 -39.08 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 4.7 p -65.15 2.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.18 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -90.51 171.31 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.549 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.785 ' HE1' HH12 ' A' ' 57' ' ' ARG . 90.9 t90 65.88 -54.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' TYR . 35.7 t30 -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.487 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.5 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 -179.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -68.34 -60.72 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.14 -20.49 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.98 -54.95 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 91' ' ' ASP . 7.6 tt -54.81 -32.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.765 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 90' ' ' ILE . 88.2 m-20 -62.38 -65.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.52 -42.08 91.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.579 179.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.612 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.2 tttt -64.65 -15.9 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -52.36 -4.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 93' ' ' LYS . 13.4 t -41.7 -68.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.5 p30 163.88 60.7 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 178.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.03 -156.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.833 2.355 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.0 -23.12 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.527 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.58 -44.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.79 -33.97 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.55 -51.13 59.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.57 -19.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 179.347 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -55.03 -45.54 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.06 -40.67 98.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.466 ' NE2' ' CG2' ' A' ' 12' ' ' VAL . 76.7 t60 -58.21 -40.88 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.261 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -51.95 -58.66 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -52.01 -43.1 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.6 m-85 -63.5 -51.95 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' NE2' ' A' ' 8' ' ' HIS . 2.1 t -43.79 -35.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.547 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -72.14 -34.42 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.1 mt-30 -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.605 -179.572 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.58 -41.96 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.429 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.93 -38.36 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.91 -45.7 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.008 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -57.6 -60.07 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.351 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HA ' HH21 ' A' ' 22' ' ' ARG . 63.9 mt -55.16 -25.55 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.367 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -66.23 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 70.6 p -70.22 -15.05 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' ' 19' ' ' LEU . 81.0 mtt85 -82.0 3.83 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.459 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 -0.47 63.25 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p -64.92 150.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.675 0.274 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.5 ptmt -51.34 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -107.09 101.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -122.6 160.55 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -84.17 135.14 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.27 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.5 t70 -52.41 -55.98 18.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.52 -61.04 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 -178.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -45.6 -46.63 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -78.21 -49.89 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.479 -178.171 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 75.4 t80 -47.5 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 -179.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.446 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.7 t80 -57.43 -51.9 67.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -178.285 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.3 t0 -52.76 -60.59 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 -177.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.11 -57.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' CYS . 53.5 t -43.05 -59.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.14 -44.52 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -178.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 63.3 t0 -60.78 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.39 -44.51 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -119.86 80.88 25.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.297 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.3 -20.9 9.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.786 2.324 . . . . 0.0 112.118 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -124.69 -3.15 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.551 -178.511 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.524 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 47.6 m-85 -138.37 62.22 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.82 3.05 3.52 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.849 2.366 . . . . 0.0 112.086 -179.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.39 -48.76 76.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -115.96 -82.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.25 94.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -86.66 170.73 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 1.6 pp -90.65 129.1 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 95.2 m-20 -138.03 141.43 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.7 mt -90.67 -39.44 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.03 -45.71 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' ARG . 31.8 ttp180 -69.28 -67.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.533 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 50.6 t-105 -38.56 -30.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' ARG . 59.1 ttp180 -72.04 -46.36 57.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 62.1 ttm-85 -62.43 -59.41 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.01 -21.92 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -48.63 32.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.7 t70 -69.4 -42.57 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.562 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.7 m -50.17 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.608 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.18 -44.69 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.76 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.5 t0 -49.75 -36.67 26.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.115 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -73.29 -44.58 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.649 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.93 -42.3 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.86 -63.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 30.4 m -43.91 -28.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.64 -55.58 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.02 70.66 0.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -79.48 162.02 25.07 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.86 2.374 . . . . 0.0 112.17 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -101.78 -3.26 28.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 65.6 mmtt -123.44 29.88 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.1 p -42.7 101.43 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.3 Cg_endo -81.67 148.51 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.744 2.296 . . . . 0.0 112.154 -178.429 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.59 -14.51 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.475 ' O ' ' OG ' ' A' ' 81' ' ' SER . 82.4 mt -49.08 -21.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.513 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 82.2 p -64.99 -42.13 94.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.688 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -53.09 169.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.279 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.688 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 67.97 -59.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.486 -179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 64.8 m-20 -61.08 -43.26 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.9 -37.27 84.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -52.92 -45.32 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.56 -57.22 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -58.76 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.56 -58.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -54.18 -31.69 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 90' ' ' ILE . 89.4 m-20 -60.74 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.443 ' C ' ' HH ' ' A' ' 11' ' ' TYR . 67.4 mmtt -60.54 -40.82 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 95' ' ' VAL . 82.3 tttt -62.94 -14.53 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -57.91 -3.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.54 ' H ' ' C ' ' A' ' 93' ' ' LYS . 11.0 t -45.41 -70.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -178.211 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.595 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 17.4 t30 169.44 61.17 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.52 -156.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.842 2.361 . . . . 0.0 112.132 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.49 -20.6 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.12 -44.88 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -70.62 -28.01 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.01 -46.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.29 -15.05 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 12.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -55.07 -45.73 75.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.117 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -64.73 -42.45 95.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.48 179.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -53.14 -36.1 60.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.1 -63.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.372 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -52.09 -45.14 64.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.347 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.2 -51.09 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.535 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.53 -34.83 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -71.19 -36.9 72.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.745 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.59 -41.07 80.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.53 -39.65 94.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.344 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.0 -40.04 94.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.55 -56.41 14.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.64 -23.75 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.457 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.16 -36.2 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -68.14 -10.26 52.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.21 -1.84 56.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.79 -1.27 16.58 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.0 p -64.36 64.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.0 ptmt 36.98 -165.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 0.0 110.498 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.7 t -117.84 108.77 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.237 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD1' ' A' ' 78' ' ' ILE . 12.2 ptmt -116.7 150.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.609 -179.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 98.2 m-85 -80.8 133.66 35.66 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -89.01 -37.02 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.626 0.726 . . . . 0.0 111.734 178.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 6.5 t0 -55.44 -62.67 1.53 Allowed 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.797 -178.03 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.69 -59.93 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.379 . . . . 0.0 111.843 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 28' ' ' TYR . 98.0 mt -47.52 -43.66 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 29' ' ' ALA . 76.9 tttt -80.21 -47.57 14.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.924 0.393 . . . . 0.0 111.638 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 64.9 t80 -51.62 -54.23 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.527 -178.835 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.78 -51.14 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 98.1 m-20 -54.23 -59.51 4.57 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.21 -60.82 3.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.798 0.333 . . . . 0.0 111.461 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 44.0 t -43.64 -60.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.256 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.28 -46.83 81.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.552 -179.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 60.5 t0 -57.07 -69.56 0.15 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -178.592 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.2 -43.17 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.68 79.23 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.102 0.477 . . . . 0.0 111.112 -179.465 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.08 -18.61 9.95 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.788 2.326 . . . . 0.0 112.262 179.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -122.19 -7.33 8.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.257 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.538 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 3.1 m-85 -138.36 67.77 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.82 4.06 4.44 Favored 'Trans proline' 0 C--N 1.3 -1.975 0 C-N-CA 122.942 2.428 . . . . 0.0 112.236 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.62 -49.89 74.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -121.58 -78.78 0.6 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.3 100.49 0.02 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 p -87.44 168.93 12.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 0.0 110.192 179.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.25 125.51 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -129.95 137.63 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.464 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.68 -38.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.24 -46.61 79.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 65.9 mmt-85 -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.42 -179.592 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 63.0 t-105 -41.06 -36.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -72.17 -44.6 62.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.635 178.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.518 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 88.2 mtt-85 -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.467 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -72.0 -22.82 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.33 -46.85 55.13 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 33.9 t70 -69.35 -39.25 78.24 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.082 0.468 . . . . 0.0 110.429 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -50.88 -66.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.619 -179.747 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -63.12 -47.12 84.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.88 -62.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -50.61 -24.29 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.54 -39.29 20.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.533 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 76.8 t80 -64.68 -41.3 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' N ' ' A' ' 70' ' ' PHE . 10.8 m120 -70.77 -60.29 2.33 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.7 m -47.42 -16.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.071 0.462 . . . . 0.0 110.234 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 90.2 t80 -87.7 4.13 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 54.72 68.44 1.68 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 63.2 Cg_endo -78.92 160.01 27.36 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.008 2.472 . . . . 0.0 112.138 179.616 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -101.79 2.13 38.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.61 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -124.78 26.3 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.9 p -44.16 99.97 0.22 Allowed Pre-proline 0 CA--C 1.533 0.32 0 O-C-N 123.61 0.569 . . . . 0.0 109.982 -178.376 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.86 144.26 13.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.864 2.376 . . . . 0.0 112.695 -178.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.67 -7.12 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 67.5 mt -53.03 -20.26 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -58.27 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 0.0 110.674 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -43.94 -47.91 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 46.1 p -63.87 -42.78 97.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.5 m-85 -53.7 177.2 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.638 -179.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.525 ' O ' ' CE3' ' A' ' 83' ' ' TRP . 0.8 OUTLIER 60.97 -67.25 0.05 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.399 0.619 . . . . 0.0 110.652 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 82' ' ' TYR . 53.5 m-20 -51.92 -41.01 61.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.42 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.54 -33.7 76.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 86' ' ' ILE . 34.8 mm -56.8 -41.75 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.946 -179.065 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -65.26 -56.42 12.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 19.1 tp10 -59.45 -21.45 60.07 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.179 0.514 . . . . 0.0 110.499 -179.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.4 mt -71.98 -53.24 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.978 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.1 tt -51.9 -32.64 14.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 121.553 0.692 . . . . 0.0 110.181 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -60.05 -59.32 5.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.812 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.478 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 58.2 mttp -58.16 -36.65 73.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.297 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 95' ' ' VAL . 7.3 mmtt -54.64 -23.16 15.97 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.248 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -45.56 -12.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.0 111.357 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 93' ' ' LYS . 4.3 t -52.59 -65.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 1.1 m120 163.87 65.12 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 110.268 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 93' ' ' LYS . 20.1 Cg_endo -92.05 -166.2 0.16 Allowed 'Trans proline' 0 C--N 1.294 -2.307 0 C-N-CA 123.107 2.538 . . . . 0.0 112.663 -178.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -68.01 -25.08 65.22 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.065 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.48 -42.69 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.343 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mmm -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -45.63 68.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.579 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.47 -16.35 0.57 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.461 0.106 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.183 179.696 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -59.09 -41.63 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.34 -36.72 83.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -60.28 -37.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.69 -63.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -48.85 -47.71 42.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLN . 6.2 m-85 -61.03 -53.01 62.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.11 -37.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -69.57 -37.57 77.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 mm-40 -66.16 -42.04 89.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.26 -41.15 98.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.74 -46.4 89.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -57.72 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -31.12 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -61.32 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.607 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -75.71 -5.25 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 -179.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' NH2' ' HG ' ' A' ' 81' ' ' SER . 70.5 mtm180 -92.55 -1.91 56.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.35 90.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.7 p -63.26 147.59 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.607 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.09 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.34 100.28 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -120.4 153.26 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.94 133.61 36.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.22 -42.12 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 27.8 t0 -52.05 -55.63 19.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.481 -178.75 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.19 -62.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 -178.207 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -45.97 -45.48 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -78.01 -50.07 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.588 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.3 t80 -48.59 -64.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 -179.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -57.53 -51.25 70.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -178.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -53.44 -60.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -178.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -60.64 -58.8 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 42' ' ' CYS . 43.5 t -42.32 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -178.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -64.2 -41.02 97.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 -178.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -63.64 -71.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.72 -42.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.28 81.09 29.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.609 -179.037 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -80.31 -21.39 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.866 2.377 . . . . 0.0 112.091 179.05 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -125.06 4.03 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -144.28 69.55 15.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.64 -0.21 10.47 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.856 2.37 . . . . 0.0 112.075 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.62 -54.0 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -103.65 -79.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.607 179.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.77 115.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -116.75 161.97 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.7 131.62 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -135.73 142.13 44.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.548 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.25 -39.56 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.9 -47.73 70.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' ARG . 94.4 mtt-85 -69.97 -68.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 46.5 t90 -38.01 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.557 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.745 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -75.06 -45.09 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.741 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' ARG . 94.0 mtt180 -64.61 -56.23 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.292 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.0 t -71.93 -22.58 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -45.86 59.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 65' ' ' ASP . 24.4 t70 -68.21 -37.76 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.548 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.6 m -53.67 -67.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.5 -45.08 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -64.18 -61.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.7 t0 -55.61 -20.41 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.98 -42.77 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 74.8 t80 -62.72 -39.55 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -71.47 -56.08 6.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.586 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 24.3 m -52.09 -21.8 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 82.9 t80 -80.19 2.09 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.07 73.56 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.9 Cg_endo -79.87 158.47 24.36 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.885 2.39 . . . . 0.0 112.106 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -100.03 0.89 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 72.0 mmtt -127.19 31.23 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.263 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 10.7 p -45.28 102.97 0.32 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.357 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 56.8 Cg_endo -81.95 145.4 14.06 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.77 2.313 . . . . 0.0 112.117 -178.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -76.08 -19.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.84 -20.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -46.43 -40.94 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.496 ' HG ' ' NH2' ' A' ' 22' ' ' ARG . 68.8 m -61.95 -42.93 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.2 m-85 -55.35 178.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.647 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.745 ' HE1' HH12 ' A' ' 57' ' ' ARG . 68.5 t90 65.63 -62.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.622 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 82' ' ' TYR . 6.6 m120 -61.32 -42.69 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.57 -35.55 79.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.37 -44.03 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.77 -59.81 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.75 -19.32 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.089 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.89 -57.59 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 91' ' ' ASP . 8.1 tt -51.77 -36.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.46 ' N ' HG23 ' A' ' 90' ' ' ILE . 93.1 m-20 -57.41 -62.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -26.05 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 95' ' ' VAL . 4.0 mttp -80.03 -13.44 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -46.77 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.535 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.7 t -47.45 -68.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.515 -179.393 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 9.3 t30 168.01 67.23 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 179.392 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 31.9 Cg_endo -90.45 -166.96 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.827 2.351 . . . . 0.0 112.107 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.78 -26.57 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.8 t -56.65 -45.02 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtp -70.43 -30.52 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -65.74 -51.95 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.28 -13.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 101' ' ' ALA . 4.7 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.798 0.332 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -59.98 -38.58 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.529 ' HE2' ' CG ' ' A' ' 30' ' ' ASP . 79.8 t60 -53.86 -40.41 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -63.99 -63.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -48.24 -48.16 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.2 m-85 -62.53 -55.84 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.561 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -40.94 -39.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -69.32 -36.61 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 -179.196 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.3 mt-30 -65.65 -43.89 88.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 -178.802 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -61.59 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 -179.407 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.68 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -57.55 -51.03 71.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.426 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.63 -57.32 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -178.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.27 -32.47 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -62.29 -21.47 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 34.4 p -82.5 -2.7 54.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.105 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' NH2' ' HG ' ' A' ' 81' ' ' SER . 86.5 mtt180 -94.82 3.48 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.16 84.62 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -60.89 147.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.3 ptmt -54.49 -168.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.97 97.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -118.63 149.95 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -77.27 133.08 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.4 13.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.529 ' CG ' ' HE2' ' A' ' 8' ' ' HIS . 18.7 t0 -52.6 -56.61 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.85 -62.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.589 -178.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -44.91 -45.46 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -79.09 -48.77 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -178.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 82.1 t80 -49.56 -63.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.29 -53.78 54.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -51.6 -60.66 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -178.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -61.08 -56.75 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' CYS . 47.0 t -44.75 -61.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -178.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -63.45 -42.43 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -177.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -62.27 -70.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 -178.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.17 -43.25 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.31 80.87 37.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -178.912 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -80.62 -20.39 8.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.345 . . . . 0.0 112.112 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -123.15 -0.35 8.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 66.1 m-85 -144.02 65.73 14.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.205 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.16 4.01 5.19 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.812 2.341 . . . . 0.0 112.052 -179.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.39 -48.43 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -109.14 -78.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 179.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 p -102.63 161.83 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.54 178.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.418 HG22 ' HZ3' ' A' ' 93' ' ' LYS . 1.7 pp -74.58 129.69 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -131.45 139.96 49.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.13 -40.42 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.43 -47.42 73.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.9 mtt180 -72.3 -68.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -178.68 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 27.7 t90 -37.66 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.707 HH12 ' HE1' ' A' ' 83' ' ' TRP . 61.7 ttm-85 -75.15 -44.6 45.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.5 ttm180 -63.72 -58.66 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -69.79 -24.1 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.76 62.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -178.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' ASP . 8.0 t70 -70.27 -38.25 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 79.3 m -51.67 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.319 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -64.93 -43.99 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 -178.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -65.5 -62.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -178.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 61' ' ' ASP . 22.9 t70 -54.5 -32.26 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.611 -178.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -76.48 -42.85 42.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -67.2 -37.81 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.04 -61.8 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 82.7 m -42.97 -31.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -178.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.99 -53.87 43.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.24 71.88 0.3 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.61 165.89 20.08 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.764 2.309 . . . . 0.0 112.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -101.95 1.62 36.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -126.17 29.85 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.8 p -43.59 102.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.514 -179.451 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -81.67 144.16 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.8 2.333 . . . . 0.0 112.096 -178.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.2 -23.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.62 -24.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.15 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -46.94 -41.69 16.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.504 ' HG ' ' NH2' ' A' ' 22' ' ' ARG . 5.3 t -61.28 -44.87 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -54.26 179.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 -179.651 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.707 ' HE1' HH12 ' A' ' 57' ' ' ARG . 45.8 t90 64.16 -61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 29.6 m-20 -61.48 -42.71 99.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.96 -34.42 77.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.628 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.94 -43.87 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.86 -61.51 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -57.73 -20.58 35.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 -179.123 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.15 -58.31 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 91' ' ' ASP . 8.2 tt -52.86 -34.4 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.424 ' N ' HG23 ' A' ' 90' ' ' ILE . 86.3 m-20 -58.38 -65.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.26 -42.72 99.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' A' ' 95' ' ' VAL . 82.2 tttt -63.94 -13.76 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -58.26 -2.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.692 ' CG1' ' H ' ' A' ' 96' ' ' ASN . 7.1 p -44.58 -62.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -177.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.692 ' H ' ' CG1' ' A' ' 95' ' ' VAL . 1.2 m120 164.33 60.12 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.628 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.9 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.791 2.327 . . . . 0.0 112.111 179.065 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.17 -26.34 68.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.026 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.97 -44.91 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mmm -70.01 -28.77 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -69.92 -50.95 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.51 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 -13.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 101' ' ' ALA . 10.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.59 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.1 mt-30 -48.42 -40.93 27.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.176 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 99.1 mt-10 -50.1 -6.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.006 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.6 tt -59.01 -41.82 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -55.3 -41.07 71.87 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.118 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -65.01 -36.75 85.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.36 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.584 ' NE2' ' H81' ' A' ' 201' ' ' MYR . 18.2 m170 -64.85 -34.71 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.249 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.93 -59.77 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.149 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -53.7 -43.46 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.37 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.7 m-85 -61.89 -49.97 74.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.732 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.72 -37.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.36 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.76 -36.31 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.6 mt-30 -67.95 -41.01 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.339 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -62.5 -39.03 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.294 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.69 -44.1 97.1 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -53.41 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.52 -26.32 67.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 110.205 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -63.94 -34.31 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.496 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -73.7 -13.58 61.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -79.86 1.49 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 2.5 73.12 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -68.82 149.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.559 0.218 . . . . 0.0 110.468 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.2 ptmt -51.67 -165.6 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.744 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -111.39 105.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 111.453 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -132.18 164.98 25.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.69 134.31 35.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 -46.89 10.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 39.1 t0 -54.17 -51.58 63.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.082 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.48 -58.94 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.517 0.511 . . . . 0.0 111.525 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.4 tp -49.08 -42.53 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.976 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HZ1' H131 ' A' ' 201' ' ' MYR . 67.8 tttt -76.03 -48.77 19.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 3.0 m-85 -51.86 -64.9 0.67 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.508 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -47.87 -57.4 5.71 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.332 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -55.57 -58.12 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.785 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CZ ' ' NE1' ' A' ' 56' ' ' TRP . 7.0 m-85 -66.12 -54.92 19.65 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 86.0 t -43.64 -44.7 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.935 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -79.84 -21.21 44.44 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.299 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' PHE . 8.8 t70 -74.44 -66.73 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.035 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 pt -84.86 -15.98 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.615 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.641 ' SG ' ' CD1' ' A' ' 45' ' ' PHE . 2.2 m -130.35 63.13 68.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.1 -23.72 15.59 Favored 'Trans proline' 0 C--N 1.301 -1.934 0 C-N-CA 122.717 2.278 . . . . 0.0 112.906 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.551 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 15.8 t90 -122.04 -3.67 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p90 -145.58 75.31 13.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 121.001 0.429 . . . . 0.0 111.425 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.4 5.99 5.42 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.981 3.121 . . . . 0.0 111.665 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -62.0 -51.78 66.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.406 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -115.8 -78.44 0.58 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.84 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . 63.13 88.46 0.04 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -82.68 163.42 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.435 HG21 H132 ' A' ' 201' ' ' MYR . 2.0 pp -77.18 125.42 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.079 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 63.2 m-20 -132.17 139.33 48.34 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.698 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.19 -40.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.294 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -46.72 80.16 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.967 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 52' ' ' ASP . 50.6 mtm180 -72.26 -63.89 1.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.546 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.629 ' NE1' ' CZ ' ' A' ' 37' ' ' PHE . 44.8 t90 -42.84 -27.85 0.21 Allowed 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 55' ' ' ARG . 59.3 ttp180 -72.83 -46.19 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 81.4 mtp180 -63.52 -52.29 61.82 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.116 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.31 -23.87 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.282 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.45 -50.5 37.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.0 t70 -64.97 -40.87 95.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.1 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.606 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.91 -45.62 92.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.98 -61.84 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.955 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -51.76 -24.75 6.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.068 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -83.36 -43.55 15.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.66 -44.14 97.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.05 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.56 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.9 m -51.32 -17.21 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 93.4 t80 -84.85 5.41 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.12 72.04 0.61 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.55 159.87 38.91 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.742 2.295 . . . . 0.0 112.261 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -100.74 -9.0 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -121.97 39.04 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.182 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.1 p -46.64 102.61 0.31 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.255 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -82.24 143.23 12.48 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.654 2.236 . . . . 0.0 112.8 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 -22.19 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.691 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.4 mt -47.75 -21.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.363 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.66 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 110.472 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -47.29 -42.04 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.672 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 m -59.38 -42.33 91.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.71 179.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.169 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 53.1 t90 68.31 -65.58 0.26 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.806 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.51 -40.7 92.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.05 -33.43 75.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.884 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.12 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.29 -58.37 6.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -59.37 -21.03 59.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.77 -54.53 15.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 tt -53.17 -37.31 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.315 0.578 . . . . 0.0 109.551 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.48 -62.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.031 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.4 -10.41 11.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.833 ' HZ1' H101 ' A' ' 201' ' ' MYR . 8.9 mttp -86.42 -14.85 42.1 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.784 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -47.46 -9.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.567 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -51.68 -64.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.332 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 1.5 t-20 162.9 69.57 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.637 0 CA-C-O 121.351 0.596 . . . . 0.0 110.554 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -92.23 -168.0 0.21 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 123.186 2.59 . . . . 0.0 111.664 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.84 -24.74 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.9 t -58.84 -44.77 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 84.2 mtp -69.29 -30.05 68.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.21 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -67.98 -47.65 67.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -15.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.482 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.427 ' H ' ' C ' ' A' ' 101' ' ' ALA . 4.0 t -93.54 -51.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.455 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 -24.87 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.082 0.468 . . . . 0.0 110.153 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -85.49 -58.73 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.4 m -61.65 -40.2 94.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -120.22 72.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.923 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.43 139.48 57.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.393 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.6 tt -66.39 -25.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.807 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.84 -31.36 70.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.522 ' N ' ' OD2' ' A' ' 117' ' ' ASP . 51.3 pttt -44.22 133.4 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.279 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.484 ' H ' ' HG ' ' A' ' 112' ' ' SER . 0.5 OUTLIER -71.63 -161.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.51 -40.44 94.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.238 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.4 m -164.03 23.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.671 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -110.53 -121.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.1 p -136.91 171.44 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.522 ' OD2' ' N ' ' A' ' 111' ' ' LYS . 35.2 m-20 -67.99 -28.14 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.202 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.29 -42.06 99.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 122' ' ' HIS . 95.8 mt-10 54.63 94.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.904 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -66.04 -36.83 84.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.6 m-70 -104.38 150.85 24.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -137.5 106.15 5.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.616 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -113.26 144.58 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.879 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.648 179.688 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.833 H101 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.545 ' C ' ' H ' ' A' ' 5' ' ' LEU . 98.9 mm-40 -48.95 -37.32 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.709 0.29 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 98' ' ' GLN . 96.7 mt-10 -49.67 -8.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.655 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.8 tt -52.8 -38.8 61.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -60.78 -37.66 82.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -67.22 -38.77 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.92 -37.73 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.07 -62.55 1.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -51.33 -43.44 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.041 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.8 m-85 -62.74 -52.88 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.657 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -44.46 -37.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.24 -38.45 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' TYR . 85.4 mm-40 -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.066 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -61.94 -42.31 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -58.04 -48.23 80.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.84 -54.76 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.2 mt -64.38 -32.98 74.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.024 0.44 . . . . 0.0 110.572 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.3 -23.22 65.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.2 p -87.37 -3.75 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.679 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -90.05 9.26 28.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.657 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.88 35.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.4 p -65.52 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.543 0.211 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 24' ' ' VAL . 10.9 ptmt -51.82 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.643 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.26 107.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -130.66 149.13 52.46 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.156 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -69.76 134.27 48.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.185 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.1 -45.21 12.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.8 t0 -48.83 -50.44 34.47 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.236 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.36 -59.88 4.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.474 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -47.56 -46.94 28.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.617 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 17.4 mmtt -76.55 -47.48 22.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 71.0 t80 -51.64 -63.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.678 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.2 t80 -58.84 -50.12 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.617 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -52.04 -59.43 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 m-85 -65.5 -49.39 69.18 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.948 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 47.6 t -49.75 -58.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -66.84 -40.46 87.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.524 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.11 -67.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.694 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.37 -43.65 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.27 77.61 13.27 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 121.364 0.602 . . . . 0.0 111.093 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.71 -22.61 11.79 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.309 2.006 . . . . 0.0 112.286 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 94.1 m95 -122.79 1.98 9.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.293 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TRP . 74.0 m-85 -144.67 66.22 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.44 1.16 9.06 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.054 2.502 . . . . 0.0 111.978 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.12 -50.93 66.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -99.28 -78.16 0.51 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.428 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.27 116.75 0.05 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -125.86 156.38 39.7 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.553 ' CG2' H102 ' A' ' 201' ' ' MYR . 1.9 pp -76.25 128.34 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.303 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 88.6 m-20 -136.2 144.71 45.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.426 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.8 mt -97.71 -40.27 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HZ3' HH12 ' A' ' 57' ' ' ARG . 64.9 mmtt -66.21 -44.85 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.238 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.1 mtt180 -71.43 -65.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.029 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -44.61 -21.93 0.07 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.46 HH12 ' HZ3' ' A' ' 54' ' ' LYS . 57.1 ttp180 -75.69 -48.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.843 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.62 -55.02 26.86 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.063 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.15 -22.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.9 62.6 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 32.6 t70 -70.44 -39.42 74.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -52.48 -65.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.839 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -63.44 -46.7 85.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.81 -59.63 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.17 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.3 t0 -56.13 -30.42 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.196 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -74.49 -45.03 48.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -65.67 -39.35 91.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -78.59 -60.58 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.229 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 33.6 m -46.73 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.415 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -65.28 -53.15 48.44 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.581 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.26 70.24 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.57 160.33 19.41 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.105 2.536 . . . . 0.0 112.304 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -102.85 2.74 35.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -124.66 23.31 8.07 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.8 p -44.41 100.92 0.24 Allowed Pre-proline 0 CA--C 1.532 0.256 0 O-C-N 123.516 0.51 . . . . 0.0 110.081 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.91 154.04 19.65 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.853 2.369 . . . . 0.0 112.7 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p -76.85 -25.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.557 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.2 mt -45.66 -24.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -55.43 -64.58 0.8 Allowed 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.565 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -43.37 -34.51 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.861 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -37.39 85.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' C ' ' CD2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.16 162.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.501 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 7.2 t90 68.83 -60.39 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -58.47 -45.88 87.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.748 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -38.35 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.057 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mm -58.13 -43.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.25 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -65.87 -59.67 3.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.556 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -56.85 -22.46 36.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.47 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -55.3 10.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.029 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -51.9 -32.68 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.07 -63.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.452 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.97 -10.49 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.477 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.78 ' HZ3' H101 ' A' ' 201' ' ' MYR . 2.7 mttp -89.7 -15.91 31.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -46.11 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.556 ' H ' ' C ' ' A' ' 93' ' ' LYS . 24.1 t -47.67 -64.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER 162.02 67.67 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 CA-C-O 121.456 0.646 . . . . 0.0 110.61 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.12 -168.62 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.026 2.484 . . . . 0.0 112.25 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.536 ' OE1' ' H21' ' A' ' 201' ' ' MYR . 68.3 tp60 -61.78 -30.89 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.203 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -50.74 -42.42 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.941 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.435 ' SD ' ' ND2' ' A' ' 96' ' ' ASN . 62.0 ttp -65.96 -35.31 80.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.48 -51.18 54.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -48.6 -17.23 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.157 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.6 t -94.08 -51.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.493 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.66 -24.35 67.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.073 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -89.9 -60.16 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 11.0 m -60.32 -43.05 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -128.2 84.09 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.73 159.21 6.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 pt -99.79 -1.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 111' ' ' LYS . 96.3 mt -93.2 -7.65 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 110' ' ' LEU . 61.9 pttt -54.02 -164.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.727 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.4 m -102.78 161.62 13.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 109.832 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.513 ' N ' ' OD2' ' A' ' 117' ' ' ASP . 76.9 m-20 57.15 34.07 24.29 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.227 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.418 ' H ' ' CG ' ' A' ' 117' ' ' ASP . 25.1 p -127.11 -170.18 2.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.05 -39.48 89.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.422 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.2 p -128.03 100.38 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.713 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' A' ' 113' ' ' ASN . 76.8 m-20 -105.68 9.13 33.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.29 -41.25 98.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 110' ' ' LEU . 99.2 mt-10 48.14 -166.34 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.39 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -132.28 135.44 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.481 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -118.89 148.59 42.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.693 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -106.47 126.14 51.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.426 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -139.51 94.28 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.186 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -109.7 123.36 49.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.641 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.78 H101 ' HZ3' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.513 ' C ' ' H ' ' A' ' 5' ' ' LEU . 97.3 mm-40 -62.97 -24.0 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -49.45 -11.31 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.601 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -53.87 -34.43 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.324 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -58.87 -41.56 87.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.686 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.525 HE22 ' CG2' ' A' ' 95' ' ' VAL . 62.4 tt0 -63.43 -40.02 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.197 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' CD2' H112 ' A' ' 201' ' ' MYR . 11.8 t-160 -58.7 -39.63 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -59.35 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.051 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -51.33 -44.59 62.02 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.295 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.6 m-85 -59.76 -52.57 64.91 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.464 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.88 -36.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.449 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.2 mt-30 -64.31 -41.69 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.2 mm? -62.84 -40.87 98.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -62.06 -40.48 95.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.4 -47.46 83.8 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.257 0.551 . . . . 0.0 110.412 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.3 -56.56 19.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.96 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.89 -21.4 60.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 30.7 p -78.83 -4.54 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -92.02 -1.43 57.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.36 89.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -61.97 145.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.679 0.276 . . . . 0.0 110.45 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.4 ptmt -53.57 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.95 99.99 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -122.53 154.72 37.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.92 133.59 35.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.208 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.21 -45.7 10.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.1 t70 -54.22 -53.53 52.36 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.83 -59.68 3.63 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.392 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.4 tp -48.47 -41.81 30.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.352 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.624 ' HZ2' H131 ' A' ' 201' ' ' MYR . 71.2 tttt -81.76 -48.16 11.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.385 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 79.3 t80 -52.65 -57.16 10.95 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.605 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -62.09 -51.95 65.88 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.624 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -53.52 -56.19 19.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 111.103 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.19 -54.38 34.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.692 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 42.8 t -45.21 -56.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.833 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -63.37 -41.3 98.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 53.5 t0 -66.69 -67.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.276 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.62 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -117.86 77.69 11.96 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.82 -22.3 7.71 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.633 2.222 . . . . 0.0 112.195 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 m-90 -121.85 0.3 9.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 43.1 m-85 -141.49 66.37 23.09 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.781 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.57 -2.19 12.37 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 C-N-CA 122.896 2.397 . . . . 0.0 112.144 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.82 -48.8 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -98.65 -76.13 0.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.81 109.99 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 p -124.08 159.18 30.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 pp -76.45 130.86 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.296 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -135.18 143.86 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.455 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.5 mt -98.06 -40.26 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -66.08 -44.32 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.5 mtt-85 -72.82 -65.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.486 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 70.0 t-105 -43.62 -22.82 0.05 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 55' ' ' ARG . 56.2 ttp180 -76.84 -47.9 20.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 81.6 mtp180 -63.16 -55.49 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.461 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.37 -22.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.68 -45.39 66.23 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 13.8 t70 -68.54 -39.82 80.97 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.66 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 58.6 m -53.17 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.59 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.86 -46.05 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.96 -60.37 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.044 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 44.1 t0 -54.0 -23.42 13.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.272 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.39 -40.33 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 82.8 t80 -63.28 -42.69 99.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.348 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.84 -55.06 9.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -54.73 -18.23 4.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 64.3 t80 -82.83 0.0 46.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.665 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.51 71.72 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.6 Cg_endo -77.62 155.28 31.43 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 123.008 2.472 . . . . 0.0 112.272 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -101.18 1.52 39.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -126.51 33.0 5.07 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.714 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -44.32 100.57 0.23 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 O-C-N 123.862 0.726 . . . . 0.0 110.009 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -81.45 144.85 14.55 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.909 2.406 . . . . 0.0 112.627 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 p -78.48 -12.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.744 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.482 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 84.8 mt -50.51 -18.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -57.49 12.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.476 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.07 -47.59 61.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.86 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 78.2 p -59.76 -36.66 77.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 3.2 m-85 -68.19 177.5 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.1 t90 64.4 -65.38 0.14 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.433 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 94.0 m-20 -60.61 -42.65 97.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -66.14 -33.5 75.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.837 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.428 HD12 HG22 ' A' ' 86' ' ' ILE . 24.7 mm -58.05 -42.52 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -66.29 -58.72 4.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.512 0.672 . . . . 0.0 110.521 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.06 -21.47 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.6 -56.75 7.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.098 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.3 tt -52.22 -31.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.335 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.06 -62.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.33 -43.83 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.761 ' HZ2' H102 ' A' ' 201' ' ' MYR . 79.2 tttt -59.93 -17.36 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -52.99 -5.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.532 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 93' ' ' LYS . 86.5 t -43.49 -65.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.503 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 5.1 m-20 165.02 60.55 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 0.0 110.904 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.1 Cg_endo -91.24 -156.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 123.09 2.527 . . . . 0.0 112.194 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.84 -28.29 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.933 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.9 t -54.39 -44.71 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.168 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.58 -31.86 71.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.76 -52.84 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.255 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.2 -18.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.9 t -91.57 -51.82 11.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.227 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.12 0.486 . . . . 0.0 109.852 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -77.46 -56.78 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.55 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.6 m -62.68 -41.89 99.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -122.98 80.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.25 140.38 58.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.478 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 pt -63.82 -20.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.576 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.8 mt -91.1 83.9 5.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.502 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -139.57 149.48 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 114' ' ' SER . 4.9 t -72.17 -38.47 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -37.38 -40.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 112' ' ' SER . 87.1 p -75.63 160.04 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.06 -41.09 95.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.409 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.6 m -127.42 132.89 50.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.045 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -64.61 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.307 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.14 -38.91 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 55.59 31.07 16.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.28 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -81.76 126.66 32.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.293 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -123.88 145.43 49.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -129.52 123.88 32.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -118.63 126.85 52.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.383 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 128.91 55.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.509 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.761 H102 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.9 mt-30 -49.05 -40.48 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 110.406 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 98.0 mt-10 -48.34 -10.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.591 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 3' ' ' GLN . 2.2 tt -55.68 -41.41 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -57.82 -38.99 76.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.39 -39.07 91.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.64 ' ND1' H111 ' A' ' 201' ' ' MYR . 81.4 t60 -58.07 -40.74 81.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.496 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.84 -62.38 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.218 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -51.11 -43.01 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -62.24 -51.34 68.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.63 -36.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.377 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.45 -39.99 77.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.585 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.5 -42.85 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -62.23 -41.08 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -62.59 -41.6 99.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.225 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -58.52 -46.02 87.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.837 0.351 . . . . 0.0 111.095 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.27 -52.64 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.598 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.0 mt -67.42 -29.74 69.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.462 . . . . 0.0 110.474 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -59.72 -28.75 67.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.621 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 76.7 p -78.37 -4.14 46.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.828 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.528 HH22 ' CB ' ' A' ' 81' ' ' SER . 81.5 mtp180 -93.81 0.2 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.87 -2.54 32.76 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.527 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.1 p -62.66 61.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 O-C-N 123.628 0.252 . . . . 0.0 110.393 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.7 ptmt 36.14 -163.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.18 0.3 . . . . 0.0 110.282 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.04 109.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HZ2' ' CD1' ' A' ' 32' ' ' LEU . 81.1 tttt -123.72 156.87 35.18 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.371 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -83.47 134.23 34.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.238 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.84 -40.41 16.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 25.9 t0 -55.43 -58.04 9.39 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.177 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.23 -60.44 3.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.45 . . . . 0.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' ' HZ2' ' A' ' 27' ' ' LYS . 61.6 tp -48.77 -45.55 40.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.196 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.54 ' HZ3' ' CD1' ' A' ' 89' ' ' LEU . 79.6 tttt -76.92 -47.66 20.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.373 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 81.0 t80 -51.95 -64.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.42 -50.55 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.485 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.21 -58.0 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -57.53 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.67 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 53.3 t -45.99 -58.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.643 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -63.97 -44.77 91.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 37.2 t0 -61.24 -66.76 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.33 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.17 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.677 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -118.94 78.44 16.33 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.365 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.89 -18.7 8.87 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.641 2.227 . . . . 0.0 112.148 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 2.9 m0 -120.94 -8.76 9.34 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.339 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.492 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 19.0 m-85 -136.76 69.46 58.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 0.0 110.493 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.33 1.92 7.84 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.791 2.327 . . . . 0.0 112.371 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.84 -50.53 70.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -103.04 -76.7 0.58 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.78 112.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -124.4 164.28 20.0 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.543 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.5 pp -79.2 125.24 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.717 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -128.86 137.4 51.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.042 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -93.41 -41.62 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.4 -46.61 76.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.494 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 57' ' ' ARG . 93.9 mtt-85 -70.93 -64.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.566 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.449 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 41.9 t90 -43.3 -26.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.857 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 55' ' ' ARG . 76.9 ttt-85 -74.02 -46.64 42.2 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.684 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 79.0 mtp85 -62.68 -50.96 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.028 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.46 -24.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -47.94 62.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.8 t70 -68.81 -41.26 78.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 0.0 110.808 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 99.9 m -49.86 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.92 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.19 -46.33 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.529 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -53.54 -32.71 51.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.195 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -73.36 -45.84 52.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.55 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.029 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.58 -61.0 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 28.3 m -46.85 -28.07 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.277 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.45 -52.81 50.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.91 70.8 0.32 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.07 163.4 20.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.18 2.586 . . . . 0.0 112.622 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -101.7 1.19 37.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -126.63 27.89 6.01 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.45 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.5 p -44.15 100.42 0.23 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.838 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.13 148.47 16.92 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.702 2.268 . . . . 0.0 112.909 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ALA . 10.4 p -75.29 -22.06 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.311 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.33 -21.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.258 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.94 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -46.41 -42.23 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.684 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.528 ' CB ' HH22 ' A' ' 22' ' ' ARG . 19.3 m -59.24 -42.59 91.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.82 173.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.46 -72.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -60.34 -41.27 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.275 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.64 -39.05 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -59.75 -43.22 91.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 0.0 109.889 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.05 -59.28 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.322 0.582 . . . . 0.0 110.886 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -57.74 -20.49 35.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.085 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.54 ' CD1' ' HZ3' ' A' ' 33' ' ' LYS . 2.9 tp -63.05 -57.69 9.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.713 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.22 -34.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.44 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.502 . . . . 0.0 110.688 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.86 -41.49 91.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.944 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 95' ' ' VAL . 83.3 tttt -64.46 -18.16 64.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -55.81 -5.77 0.18 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.505 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 79.6 t -43.8 -65.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.091 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 6.0 m-20 166.92 61.45 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 121.355 0.598 . . . . 0.0 111.32 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.9 Cg_endo -90.91 -158.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 123.054 2.503 . . . . 0.0 111.717 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 49.7 tp60 -65.34 -21.45 66.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.273 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.49 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.952 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.3 mmm -70.4 -31.13 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.373 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.14 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.87 -18.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.105 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.43 -52.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.338 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.3 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.207 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -86.01 -58.58 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.58 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 m -63.41 -41.04 98.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -124.36 84.56 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.784 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.15 152.67 44.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.604 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.0 pt -63.84 -24.24 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.479 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.3 mt -107.05 123.85 48.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 117' ' ' ASP . 57.4 pttt -174.57 -163.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -48.83 -43.45 38.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.11 -39.71 95.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 p -74.03 160.16 31.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.28 -40.49 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.7 p -115.53 145.95 42.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.723 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.469 ' OD2' ' O ' ' A' ' 111' ' ' LYS . 96.8 m-20 -132.03 14.13 4.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 40.5 mt -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.85 18.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 118' ' ' LEU . 91.0 m-70 -130.06 136.0 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -61.33 -48.87 79.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -129.34 126.15 38.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -90.97 127.64 36.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.278 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -110.85 157.63 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.646 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.519 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.64 H111 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' A' ' 5' ' ' LEU . 85.8 mt-30 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' CB ' ' H51' ' A' ' 201' ' ' MYR . 70.0 mm-40 -39.05 -18.64 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.099 0 O-C-N 123.219 0.324 . . . . 0.0 110.695 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.4 tt -58.65 -44.07 90.01 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.268 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -59.24 -48.4 81.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.086 0.469 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -65.76 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.266 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -66.87 -32.26 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -38.94 93.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -69.65 -44.27 70.9 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.65 -51.49 68.26 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.34 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.35 -46.11 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.4 -35.2 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.696 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -43.44 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -41.31 97.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.091 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -61.66 -40.67 95.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.221 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.8 -42.32 97.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.95 10.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.738 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.45 -25.74 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -65.38 -34.73 79.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.762 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -74.89 -5.0 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -88.82 7.86 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.32 -4.76 31.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.8 p -66.34 151.61 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.613 0.244 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 9.9 ptmt -51.06 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.651 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.7 t -112.92 109.74 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -131.42 151.22 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.505 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -69.61 135.63 50.2 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.274 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.14 -44.57 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.116 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.1 t0 -53.53 -54.17 41.05 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -61.29 2.38 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.064 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.8 tp -47.82 -45.15 29.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.57 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.58 ' HZ2' H121 ' A' ' 201' ' ' MYR . 77.8 tttt -77.25 -50.53 12.68 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.204 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 82.2 t80 -49.71 -62.69 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -57.94 -52.18 66.57 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.301 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 60.3 t0 -53.34 -59.73 4.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.252 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.28 -57.9 9.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.423 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 42' ' ' CYS . 55.6 t -44.33 -56.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -64.39 -41.71 96.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD2' ' CE3' ' A' ' 56' ' ' TRP . 66.5 t0 -64.51 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.14 -43.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -118.91 79.37 17.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -80.0 -20.49 8.78 Favored 'Trans proline' 0 C--N 1.302 -1.875 0 C-N-CA 122.622 2.215 . . . . 0.0 112.385 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -123.47 -2.23 8.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.1 m-85 -141.43 65.51 21.46 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.06 0.457 . . . . 0.0 110.728 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.95 3.9 4.64 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 123.107 2.538 . . . . 0.0 112.191 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.1 -48.51 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.643 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -115.96 -78.5 0.58 Allowed 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.591 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.24 90.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 p -86.74 169.99 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.436 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -83.56 124.18 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 90.7 m-20 -137.13 141.0 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.4 mt -93.49 -33.58 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.99 -46.48 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.62 -65.71 0.7 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CE3' ' OD2' ' A' ' 40' ' ' ASP . 44.3 t-105 -42.01 -30.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.091 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.664 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 58.4 ttm-85 -71.43 -50.21 34.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 85.7 mtm180 -63.24 -52.63 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 ' CG1' ' OD1' ' A' ' 40' ' ' ASP . 92.5 t -71.91 -23.02 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.56 -47.09 43.83 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -68.91 -40.6 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 110.717 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 70.9 m -50.99 -66.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.944 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -63.06 -44.78 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -65.93 -62.78 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.0 t0 -50.35 -37.66 38.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.672 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.13 -45.9 58.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -63.23 -43.32 98.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.747 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -75.5 -61.89 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 31.4 m -45.39 -28.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.42 -54.73 24.41 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.4 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.61 71.07 0.25 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -79.67 160.7 24.93 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.027 2.485 . . . . 0.0 112.439 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -101.63 -2.31 30.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -122.71 27.08 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.5 p -44.47 101.16 0.25 Allowed Pre-proline 0 N--CA 1.452 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.083 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -81.38 150.91 17.44 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.944 2.43 . . . . 0.0 112.549 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.9 p -75.9 -20.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.494 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' O ' ' OG ' ' A' ' 81' ' ' SER . 92.9 mt -45.37 -21.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -59.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -45.37 -45.29 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 54.1 p -57.63 -42.15 82.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.62 178.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.664 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 2.5 t90 71.39 -69.24 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.415 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.12 -41.83 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.21 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.78 -44.66 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.559 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -60.49 -57.09 14.21 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.063 0.459 . . . . 0.0 110.614 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -16.63 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.389 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.9 tp -64.42 -59.13 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.355 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.29 -32.64 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 94.3 m-20 -60.24 -66.72 0.48 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.102 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -51.52 -37.66 50.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HZ3' H102 ' A' ' 201' ' ' MYR . 86.5 tttt -71.39 -13.97 62.02 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-O 121.16 0.505 . . . . 0.0 110.5 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 69.4 tt0 -60.92 -7.31 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.483 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.534 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 47.7 t -44.17 -66.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.769 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 4.5 m-20 165.24 63.62 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 121.691 0.758 . . . . 0.0 110.806 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 13.0 Cg_endo -90.08 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 123.211 2.608 . . . . 0.0 112.047 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.43 -16.3 61.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.417 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.85 -45.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.9 mtp -83.58 -25.58 30.79 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.611 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.91 63.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.14 80.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.001 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.27 -57.56 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.015 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.77 -42.58 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.73 -44.5 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 m -63.08 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -138.15 81.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.7 151.61 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' O ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 pt -64.05 -39.77 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -100.94 113.98 27.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -148.99 155.75 41.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' SER . 48.4 t -62.4 -42.58 99.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.776 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 112' ' ' SER . 96.5 p -66.29 164.45 15.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.592 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -42.1 -54.69 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.0 p -139.76 152.16 46.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.57 -34.91 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.7 -40.74 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' HIS . 79.1 mt-10 55.11 101.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -66.79 -36.13 81.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.695 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -59.41 -37.37 77.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 119' ' ' GLU . 79.0 m80 -116.0 124.47 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -110.32 123.02 49.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -107.43 137.43 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.616 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.58 H121 ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 5' ' ' LEU . 99.0 mm-40 -46.18 -42.64 14.33 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' OE1' ' H71' ' A' ' 201' ' ' MYR . 84.2 tt0 -43.32 -16.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.629 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 3' ' ' GLN . 4.0 tt -53.74 -41.09 66.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -59.26 -44.67 92.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.18 -36.02 82.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.62 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 86.4 t60 -60.49 -39.11 86.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.231 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.24 -62.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -51.76 -46.81 64.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.408 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 14' ' ' GLN . 5.8 m-85 -60.58 -52.71 64.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.314 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.63 -38.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.416 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.13 -36.2 79.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.693 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.9 mm-40 -66.63 -41.74 87.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.3 mm? -63.3 -40.33 97.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.269 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -56.49 -46.57 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.71 -54.86 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.765 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.8 -30.98 72.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.89 -28.02 68.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 72.4 p -79.74 -4.41 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.809 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -91.05 1.87 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.72 87.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.3 p -63.72 147.13 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.654 0.264 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.42 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.68 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.735 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -126.72 148.4 49.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.348 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -71.16 130.81 42.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.328 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.21 -40.55 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.617 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.6 t70 -54.45 -56.14 21.71 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.64 -58.56 5.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.447 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -49.7 -42.99 47.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.758 ' HZ1' H121 ' A' ' 201' ' ' MYR . 74.9 tttt -80.6 -46.98 14.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 80.5 t80 -53.49 -54.07 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.696 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.32 -50.93 65.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.82 -60.69 3.43 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 61.8 t80 -53.97 -64.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.841 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.96 -58.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.23 -43.55 97.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.885 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.528 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 62.0 t0 -55.51 -67.26 0.3 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.496 -178.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.1 pt -72.59 -25.81 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.654 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.2 72.72 78.51 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 111.043 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -79.95 -17.02 11.01 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 122.503 2.136 . . . . 0.0 112.053 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 96.3 m95 -122.09 -3.76 9.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m-85 -144.48 69.06 15.35 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 110.956 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.11 3.81 5.85 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.65 2.233 . . . . 0.0 112.01 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -61.82 -51.75 66.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.621 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -121.89 -79.98 0.62 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.082 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 95.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 p -83.04 160.6 21.91 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.48 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.6 pp -76.89 131.91 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 91.0 m-20 -136.73 144.92 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.1 mt -93.58 -35.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.479 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -65.41 -47.63 75.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.1 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 95.7 mtt-85 -71.54 -64.71 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.716 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 53.1 t-105 -42.14 -31.73 0.4 Allowed 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -70.9 -45.44 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.967 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 82.7 mtp180 -64.64 -56.53 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.101 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.98 -25.92 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 -45.77 74.57 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 10.0 t70 -72.62 -42.76 64.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.0 m -49.99 -64.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.957 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.31 -47.58 81.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.489 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.11 -60.3 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.45 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.1 t0 -54.57 -30.41 54.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.396 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -78.02 -40.04 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.91 0.386 . . . . 0.0 110.955 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -68.4 -39.51 81.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -79.75 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.467 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 41.1 m -46.43 -31.07 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.398 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.61 -52.35 61.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.245 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.78 69.88 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.2 Cg_endo -81.64 163.43 18.85 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.15 2.567 . . . . 0.0 112.394 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -100.47 -0.81 37.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.45 . . . . 0.0 110.674 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -124.13 27.65 7.04 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.8 p -45.81 102.97 0.32 Allowed Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.098 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -81.7 147.78 15.59 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.75 2.3 . . . . 0.0 112.722 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.52 -24.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.43 ' O ' ' OG ' ' A' ' 81' ' ' SER . 72.6 mt -46.29 -22.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.324 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.59 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -46.94 -38.23 10.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.568 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 4.3 p -59.66 -46.39 89.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' ASN . 12.8 m-85 -53.38 -179.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.408 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 t90 65.36 -65.96 0.15 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.5 m120 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.05 -34.41 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.33 -43.92 78.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -67.07 -57.17 7.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.528 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.548 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 29.7 tp10 -59.42 -22.96 62.23 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.508 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -54.55 22.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.05 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.8 tt -55.21 -34.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.03 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.99 -63.9 1.14 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.834 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.548 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 59.3 mttp -63.03 -9.99 12.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.529 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.723 ' HZ1' H101 ' A' ' 201' ' ' MYR . 59.5 tttt -91.74 -13.2 31.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -50.67 -6.3 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.037 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 93' ' ' LYS . 6.7 t -44.31 -68.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.707 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.508 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 2.4 t-20 159.96 62.86 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.769 0.668 . . . . 0.0 111.099 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -92.16 -157.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.723 2.282 . . . . 0.0 112.067 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.54 -21.75 62.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.149 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.27 -44.67 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.104 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.1 mtp -67.16 -33.99 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.574 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.86 66.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.43 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -49.51 -22.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.37 -51.59 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.401 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.67 -36.81 79.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.93 -52.14 46.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.599 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 13.2 m -62.04 -40.85 97.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.567 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.27 88.53 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.41 162.27 23.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.39 -4.88 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 112' ' ' SER . 61.8 pttt -64.11 -22.56 66.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.435 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 111' ' ' LYS . 0.4 OUTLIER 76.91 -153.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.507 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.81 -41.2 97.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 p -162.18 8.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -83.35 -163.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.9 p -130.6 159.65 36.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -64.42 -35.94 82.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.712 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.67 -40.05 95.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.533 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 57.2 28.4 15.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -120.52 142.24 49.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.479 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -115.33 137.71 51.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 127.23 55.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -140.07 94.14 2.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -110.98 126.19 54.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.506 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.758 H121 ' HZ1' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.548 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.4 mt-30 -46.89 -39.95 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.728 0.299 . . . . 0.0 110.34 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' OE1' ' H51' ' A' ' 201' ' ' MYR . 97.9 mt-10 -48.53 -9.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.795 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -56.25 -39.9 73.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.099 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -59.23 -44.53 92.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.417 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -64.66 -38.84 92.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.98 -40.03 83.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.6 -62.57 1.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -50.37 -44.43 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.349 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.91 -50.63 72.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.539 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.28 -39.55 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.207 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -66.99 -37.05 83.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.623 ' NE2' ' HZ2' ' A' ' 92' ' ' LYS . 94.8 mt-30 -65.97 -40.85 91.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.41 -39.93 95.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -63.41 -41.06 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.063 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.82 -44.56 90.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.65 -52.44 65.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.28 -29.41 70.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 0.0 110.366 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.27 -29.79 70.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 78.8 p -76.27 -5.37 46.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.781 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.555 HH22 ' CB ' ' A' ' 81' ' ' SER . 97.8 mtt180 -93.85 -1.71 54.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.357 . . . . 0.0 110.655 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.33 -1.09 36.93 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.8 p -63.58 63.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 18.8 ptmt 36.85 -162.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.45 112.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.287 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -131.24 149.24 52.66 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.256 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -71.58 134.04 46.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -40.8 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -44.65 -48.78 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.853 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.29 -49.87 65.62 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.415 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -52.84 -50.02 64.55 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.152 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -75.11 -47.52 28.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.315 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.1 t80 -52.41 -60.92 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.277 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 16.2 t80 -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.286 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.7 -63.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.73 -60.89 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 59.1 t -45.66 -50.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.975 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.21 -21.62 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.188 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.52 -68.66 0.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 112.123 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -94.54 -3.92 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -131.98 54.67 14.77 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-O 121.419 0.628 . . . . 0.0 110.476 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 50.6 Cg_endo -70.76 -20.79 29.7 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.269 1.979 . . . . 0.0 111.914 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 90.3 m95 -120.22 -6.86 9.88 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 5.4 m-85 -137.68 71.33 51.01 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.453 . . . . 0.0 110.677 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -78.19 -3.94 13.87 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -62.12 -51.62 67.17 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.505 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -122.21 -78.73 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.971 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.95 102.0 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -78.88 169.41 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -92.0 127.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -133.65 138.35 45.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.233 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.75 -28.51 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.944 0.402 . . . . 0.0 110.469 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -64.94 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -74.53 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.752 -0.379 . . . . 0.0 109.985 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -43.26 -39.19 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 109.774 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.712 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 42.2 ttm180 -69.68 -44.57 70.17 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.675 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 75.4 ttt180 -67.41 -57.75 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.297 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.76 -27.67 41.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.76 -46.95 64.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' ASP . 20.2 t70 -70.81 -39.37 73.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 76.2 m -53.22 -65.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.927 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.04 -41.87 99.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.557 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -69.31 -59.97 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.355 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -55.68 -24.7 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.306 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -85.74 -45.08 11.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.01 -41.37 97.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -76.0 -59.24 2.85 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 94.6 m -46.95 -29.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.373 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.06 -54.54 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.38 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.92 69.1 0.18 Allowed Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.57 163.09 24.39 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.115 2.543 . . . . 0.0 112.186 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -100.63 -5.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.02 33.29 5.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -45.61 100.97 0.24 Allowed Pre-proline 0 C--N 1.33 -0.269 0 O-C-N 123.47 0.482 . . . . 0.0 109.906 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -82.5 145.09 13.07 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.909 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.7 p -77.45 -20.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -44.68 -23.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.401 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -56.72 -61.64 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.278 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -44.99 -41.97 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.606 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.555 ' CB ' HH22 ' A' ' 22' ' ' ARG . 15.3 m -60.15 -43.33 95.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.766 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.6 172.0 0.27 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.712 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 7.6 t90 71.75 -61.35 0.49 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.11 -41.98 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.589 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.35 -34.75 79.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.735 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 86' ' ' ILE . 32.1 mm -60.28 -42.36 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -65.2 -63.03 1.2 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.153 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -53.95 -22.96 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.26 -49.18 62.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.5 tt -57.07 -34.13 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.406 0.622 . . . . 0.0 109.959 -178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -62.19 -62.86 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.623 ' HZ2' ' NE2' ' A' ' 14' ' ' GLN . 86.6 tttt -55.76 -30.05 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.947 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.796 ' HZ2' ' H82' ' A' ' 201' ' ' MYR . 6.0 mmtt -62.67 -28.49 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.508 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -42.93 -14.16 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.596 ' N ' ' O ' ' A' ' 93' ' ' LYS . 99.9 t -48.46 -64.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.081 -0.387 . . . . 0.0 111.33 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.3 p30 164.55 66.49 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.654 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -94.7 -169.38 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 123.54 2.826 . . . . 0.0 112.051 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.09 -24.08 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.191 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.85 -44.34 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.083 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mmm -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.12 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.61 -20.18 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.378 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -91.49 -51.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.363 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.85 70.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.112 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -80.78 -58.67 2.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.3 m -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -124.33 83.19 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.89 167.35 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.35 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.3 pt -89.45 -6.24 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.58 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.96 -41.02 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.751 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 112' ' ' SER . 64.6 pttt -61.73 -36.87 82.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 111' ' ' LYS . 0.7 OUTLIER 75.42 -164.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.99 -41.02 99.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.4 t -166.62 55.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -135.85 165.99 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.731 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.3 p -85.48 167.51 15.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -64.8 -33.83 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.76 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 122' ' ' HIS . 96.3 mt-10 57.17 86.97 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -65.99 -40.63 91.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.686 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -56.65 -42.42 78.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 119' ' ' GLU . 76.0 m80 -109.05 121.22 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.404 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -119.91 116.93 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.599 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -105.62 150.13 25.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.499 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.543 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.796 ' H82' ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' A' ' 5' ' ' LEU . 98.3 mm-40 -46.55 -38.76 9.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.687 0.28 . . . . 0.0 110.358 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -50.09 -9.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.8 tt -55.23 -38.01 67.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -59.35 -41.43 89.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.12 -37.5 87.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.388 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -57.57 -42.29 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.274 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.23 -61.6 2.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.161 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -49.83 -45.15 49.87 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.281 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.64 -50.32 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.879 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.68 -39.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.69 -38.05 83.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.47 -41.5 96.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.3 mm? -64.11 -39.94 95.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.658 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.1 -42.34 99.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -60.31 -43.64 96.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.73 -53.19 60.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.74 -28.36 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.02 -29.07 70.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.798 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.7 p -78.17 -5.45 51.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 24' ' ' VAL . 79.3 mtp85 -91.98 1.5 57.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 70.43 -2.4 15.53 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.1 p -62.99 62.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.4 ptmt 35.4 -162.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -111.89 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.303 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -122.39 155.84 35.22 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.74 133.64 35.15 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.39 -42.3 12.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.711 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.3 t0 -48.91 -48.43 42.56 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.769 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.32 -60.68 3.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.954 0.406 . . . . 0.0 111.196 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -47.83 -45.93 30.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.36 -178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -76.76 -47.55 21.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.198 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 74.5 t80 -52.56 -62.13 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.48 -51.61 68.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.906 0.384 . . . . 0.0 111.418 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 29.6 t0 -52.59 -58.75 5.78 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ILE . 11.4 m-85 -63.1 -54.18 41.93 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 42' ' ' CYS . 46.5 t -48.46 -60.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.045 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.9 -43.03 97.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 5.8 t0 -64.87 -67.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.25 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' PHE . 95.8 mt -64.45 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.514 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.1 m -119.24 78.83 18.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.192 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.24 -23.38 7.59 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.605 2.203 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -121.54 -2.54 9.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 63.3 m-85 -139.89 64.31 27.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.68 0.61 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.888 2.392 . . . . 0.0 111.98 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.84 -50.45 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -95.11 -77.24 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.303 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 112.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -123.56 170.3 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.99 126.57 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -135.56 139.09 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.865 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.9 mt -94.2 -40.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.862 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.84 -44.53 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 111.03 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' N ' ' A' ' 57' ' ' ARG . 35.4 ttm180 -68.7 -65.45 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -44.66 -22.51 0.08 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.261 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 55' ' ' ARG . 74.8 ttt180 -73.56 -46.58 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.843 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 80.3 mtp85 -62.94 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.03 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.55 -22.77 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.78 -48.12 51.23 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.7 t70 -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 81.9 m -50.3 -64.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.859 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.06 -47.6 82.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.09 -60.47 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.364 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 40.1 t0 -53.76 -35.21 61.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -74.39 -45.49 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.922 0.392 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.68 -41.05 96.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.6 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 32.4 m -47.22 -28.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.76 -52.03 62.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.87 69.78 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.85 163.32 31.41 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.897 2.398 . . . . 0.0 112.446 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -101.03 -5.19 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.798 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -123.21 33.42 5.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.353 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.2 p -46.01 102.0 0.28 Allowed Pre-proline 0 CA--C 1.531 0.233 0 O-C-N 123.455 0.472 . . . . 0.0 109.816 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 152.62 15.24 Favored 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 122.972 2.448 . . . . 0.0 112.815 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 79' ' ' ALA . 11.2 p -78.01 -23.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.455 ' O ' ' OG ' ' A' ' 81' ' ' SER . 74.9 mt -45.39 -22.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -55.6 -62.81 1.44 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -47.56 -43.85 25.58 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.485 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 33.9 p -60.23 -41.0 92.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.32 172.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 69.47 -65.57 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.773 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -59.7 -42.42 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.218 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.17 -37.38 87.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.815 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.2 mm -53.49 -48.88 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.45 -54.8 38.7 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.588 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -56.66 -24.45 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.273 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.437 ' CD2' H131 ' A' ' 201' ' ' MYR . 10.8 tp -64.5 -57.56 8.87 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.908 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 3.8 tt -52.33 -36.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 82.9 m-20 -57.37 -63.59 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.18 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -56.16 -37.54 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.739 ' NZ ' H101 ' A' ' 201' ' ' MYR . 5.2 mttp -64.71 -18.7 65.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -45.43 -12.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.4 t -47.54 -64.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.083 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 95' ' ' VAL . 1.5 m120 166.97 68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.309 0 CA-C-O 121.335 0.588 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -90.7 -173.18 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.096 2.53 . . . . 0.0 112.149 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.475 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.94 -44.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.364 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.59 -32.15 71.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.44 71.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.96 -17.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.185 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 t -92.93 -52.24 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.313 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.76 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.977 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -83.61 -57.18 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.7 m -59.56 -40.89 88.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' OE2' ' NZ ' ' A' ' 111' ' ' LYS . 70.6 mm-40 -124.94 80.17 1.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.755 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.98 166.05 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.504 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 pt -90.3 -2.32 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.344 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 98.1 mt -63.74 -41.78 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.501 ' NZ ' ' OE2' ' A' ' 107' ' ' GLU . 45.6 pttt -59.88 135.27 57.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.212 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.45 ' H ' ' HG ' ' A' ' 112' ' ' SER . 0.8 OUTLIER -78.28 -153.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.504 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.47 -41.45 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.303 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 77.6 p -152.63 34.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 114' ' ' SER . 96.7 mm-40 -132.61 153.76 50.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 117' ' ' ASP . 37.8 m -80.69 167.14 20.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.407 ' N ' ' CG2' ' A' ' 116' ' ' THR . 23.5 t0 -56.11 -45.6 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.47 -27.19 68.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 57.24 33.44 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -140.82 139.76 34.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.492 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -111.62 145.5 39.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -104.31 122.41 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -105.53 136.63 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.442 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -105.99 132.56 51.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.596 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.739 H101 ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.808 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.579 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.8 mt-30 -45.91 -45.75 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.699 0.285 . . . . 0.0 110.873 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' OE1' ' O1 ' ' A' ' 201' ' ' MYR . 52.6 mp0 -48.19 -8.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.858 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.579 ' H ' ' C ' ' A' ' 3' ' ' GLN . 1.8 tt -60.49 -42.16 95.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -56.82 -44.48 82.08 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.266 0.555 . . . . 0.0 110.137 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.62 -35.71 80.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.137 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.516 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 85.6 t60 -63.09 -30.72 71.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.54 -60.36 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -55.21 -45.27 75.91 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -60.98 -52.68 63.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.27 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -43.89 -35.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -71.18 -34.21 70.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.2 mm-40 -69.72 -42.65 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.56 -40.54 97.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -63.58 -38.45 91.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.09 -43.65 91.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 111.034 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 -54.4 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.446 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.86 -23.26 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.0 110.363 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -69.85 -4.62 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.759 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -92.17 2.2 56.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 0.5 63.5 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -72.06 150.68 8.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.442 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.5 ptmt -51.04 -164.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.385 0.428 . . . . 0.0 110.601 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -109.14 97.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -100.07 130.89 46.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.166 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -69.69 132.65 46.48 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.958 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -90.97 -39.48 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.53 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -54.98 -62.01 1.93 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.07 -60.33 2.92 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -50.62 -40.28 52.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HZ1' H121 ' A' ' 201' ' ' MYR . 78.1 tttt -81.65 -48.05 12.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.108 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 66.6 t80 -51.55 -56.41 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.486 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.542 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.05 -58.15 8.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.356 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE2' ' CH2' ' A' ' 56' ' ' TRP . 15.7 m-85 -61.87 -56.39 19.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.443 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 25.4 t -41.5 -45.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.1 -21.9 36.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.38 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 40.5 t0 -70.0 -68.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.155 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 pt -89.04 -7.86 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.627 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -131.85 57.29 29.11 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 121.748 0.785 . . . . 0.0 110.79 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.74 -25.32 20.53 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.15 1.9 . . . . 0.0 112.251 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.433 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 6.1 m-90 -120.32 3.5 10.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 7.4 m-85 -145.82 67.61 12.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.62 -1.64 11.77 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -62.21 -50.55 71.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.459 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -121.92 -78.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.875 0.369 . . . . 0.0 110.156 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.8 103.42 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 p -86.38 162.34 18.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.555 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.3 pp -81.51 135.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.767 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' A' ' 51' ' ' ILE . 97.4 m-20 -139.03 143.21 38.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.9 -33.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.089 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -45.58 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.6 mtt180 -76.49 -63.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.602 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.64 ' CH2' ' CE2' ' A' ' 37' ' ' PHE . 71.5 t-105 -42.03 -35.1 0.81 Allowed 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.672 ' NH2' ' NE1' ' A' ' 83' ' ' TRP . 57.7 ttm-85 -71.4 -44.61 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.252 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 68.3 ttt180 -63.76 -57.45 9.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.476 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.62 -24.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -50.25 35.15 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.0 t70 -67.76 -43.74 79.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 82.9 m -48.47 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.14 -46.98 81.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.271 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -61.82 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -50.21 -36.41 30.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -70.64 -45.84 64.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -62.46 -44.1 97.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -74.82 -61.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.253 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 49.2 m -44.81 -29.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.324 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.44 -52.44 58.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.586 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.85 70.7 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.5 161.5 25.2 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.075 2.517 . . . . 0.0 112.223 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -100.21 0.61 40.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -126.28 28.76 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.414 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 10.8 p -46.57 102.89 0.33 Allowed Pre-proline 0 CA--C 1.532 0.265 0 O-C-N 123.803 0.69 . . . . 0.0 110.097 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.74 153.12 17.36 Favored 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.794 2.33 . . . . 0.0 112.719 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.16 -13.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.412 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 82.8 mt -48.52 -22.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -56.53 -62.69 1.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.37 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -42.19 -41.45 2.7 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.168 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.323 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 3.8 t80 -59.86 167.83 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.107 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.689 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 3.2 t90 80.27 -74.19 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.65 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.19 -40.79 95.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.501 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.6 -44.15 84.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.776 0.322 . . . . 0.0 110.231 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 8.0 tmtm? -63.01 -54.54 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.329 0.585 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.64 -19.45 62.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 0.0 110.258 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.3 -58.6 5.51 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.676 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.51 -34.39 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.362 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' A' ' 87' ' ' LYS . 93.2 m-20 -58.66 -64.38 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.642 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.91 -42.05 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' ' 95' ' ' VAL . 60.2 tttt -62.95 -12.76 27.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.513 . . . . 0.0 110.743 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.33 -3.7 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.555 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.603 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 95.8 t -44.36 -64.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.91 -178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER 163.58 60.04 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 0.0 110.808 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.54 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.986 2.458 . . . . 0.0 112.238 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.417 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 57.6 tp60 -64.59 -21.86 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.218 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.26 -44.91 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.39 -29.79 68.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.13 -48.35 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.701 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -49.97 -16.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.2 t -91.59 -51.86 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.352 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -28.18 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -77.55 -53.59 7.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 12.7 m -61.31 -40.1 92.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.449 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -133.42 85.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.82 158.33 32.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.663 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.74 -40.58 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.35 121.26 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.298 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -157.86 160.09 37.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -61.79 -41.74 98.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -52.22 -41.41 62.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 116' ' ' THR . 22.1 m -77.62 82.32 4.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.452 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 48.55 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.606 ' HG1' ' H ' ' A' ' 119' ' ' GLU . 54.8 p -133.2 155.96 48.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.38 -36.06 82.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.4 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.96 -39.73 90.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.606 ' H ' ' HG1' ' A' ' 116' ' ' THR . 93.2 mt-10 59.38 95.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.659 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -118.32 146.03 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -112.49 127.19 55.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.546 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -115.65 120.24 38.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.603 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' HIS . 42.3 p-80 -111.68 153.9 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 124' ' ' HIS . 71.6 m80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.555 H143 ' CG2' ' A' ' 51' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' LEU . 87.4 mt-30 -45.91 -44.48 14.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.588 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' H51' ' A' ' 201' ' ' MYR . 79.5 tt0 -43.68 -16.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.043 0.449 . . . . 0.0 110.594 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.8 tt -56.68 -40.8 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.542 ' HG ' ' N ' ' A' ' 7' ' ' GLN . 78.1 p -57.74 -43.88 85.67 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.542 ' N ' ' HG ' ' A' ' 6' ' ' SER . 55.2 tt0 -66.3 -39.35 89.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.441 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.645 ' ND1' H111 ' A' ' 201' ' ' MYR . 83.9 t60 -57.47 -37.45 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.146 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.14 -62.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.2 -47.18 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.571 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.52 -50.61 72.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.481 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.27 -40.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 0.0 110.361 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.66 -33.9 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -69.0 -40.9 78.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.17 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.71 -40.41 95.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -62.85 -43.21 99.4 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -57.55 -47.31 82.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.345 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.58 -52.91 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.709 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.26 -30.32 70.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.1 p -58.11 -48.15 81.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -58.98 -13.92 7.86 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.034 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 79.92 9.11 87.08 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.57 ' O ' ' O ' ' A' ' 25' ' ' LYS . 8.4 p -59.15 67.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 23' ' ' GLY . 15.6 ptmt 37.52 -170.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.388 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.3 t -112.81 99.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 47.4 tttt -114.07 172.09 7.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.326 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 79.4 m-85 -103.18 130.97 50.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.042 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.85 -41.24 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.895 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 37.7 t0 -53.86 -52.19 61.23 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.522 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.5 -56.78 11.85 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.604 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 97.0 mt -53.99 -42.44 69.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -78.98 -48.16 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 81.2 t80 -56.32 -52.28 65.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.777 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.73 -50.85 67.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 m-20 -56.4 -54.63 43.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.816 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.36 -50.78 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.899 0.381 . . . . 0.0 111.05 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 38.3 t -49.52 -55.29 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -65.77 -44.09 86.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 63.2 t0 -62.54 -67.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.238 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' NH2' ' A' ' 55' ' ' ARG . 95.8 mt -63.54 -42.51 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -120.71 79.07 30.69 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.295 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -79.89 -22.51 7.46 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.631 2.22 . . . . 0.0 112.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -120.88 2.18 10.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.281 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 71.7 m-85 -147.85 65.81 9.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.623 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.85 1.46 7.63 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.956 2.437 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -64.06 -46.44 84.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -105.25 -78.11 0.58 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.795 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 109.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 p -107.98 170.99 7.65 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -92.85 124.61 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.385 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 92.7 m-20 -136.91 138.93 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -94.55 -38.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.13 -43.32 82.7 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 41' ' ' ILE . 71.6 ttt180 -72.03 -65.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.442 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -44.57 -23.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.045 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 55' ' ' ARG . 65.5 ttp85 -74.52 -46.92 36.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.54 -50.71 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.024 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.32 -22.69 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.05 -45.03 86.39 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.3 t70 -71.42 -41.0 70.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.073 0.463 . . . . 0.0 110.93 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.19 -65.44 0.56 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.5 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -62.9 -46.52 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.42 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.59 -60.62 3.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.08 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.2 t0 -51.11 -23.74 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.038 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -84.19 -41.16 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.49 -42.96 99.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -70.56 -59.33 2.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -51.46 -17.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 81.2 t80 -85.53 4.26 36.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.82 73.81 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.7 157.52 24.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.964 2.443 . . . . 0.0 112.089 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -100.93 -4.54 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -119.63 28.17 8.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.14 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 8.3 p -46.21 102.72 0.32 Allowed Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 123.426 0.454 . . . . 0.0 109.946 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -81.6 146.65 15.24 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.549 2.166 . . . . 0.0 112.723 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.85 -24.08 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.522 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -48.32 -24.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.272 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.97 -62.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.293 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -48.31 -42.2 30.41 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.52 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 t -59.57 -42.11 91.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.1 m-85 -59.51 -178.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.703 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 67.18 -69.57 0.13 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.627 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' TYR . 71.8 m-20 -60.38 -41.16 93.21 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.201 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.879 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.55 -45.49 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.214 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.64 -56.29 23.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.438 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.32 -20.5 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.54 -54.4 32.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.7 tt -58.52 -31.91 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.826 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.71 -64.34 0.97 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.702 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.79 -39.66 85.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.539 ' HZ3' ' H82' ' A' ' 201' ' ' MYR . 86.0 tttt -67.18 -13.93 62.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.272 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -60.9 -6.51 1.85 Allowed 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.331 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.643 ' CG1' ' H ' ' A' ' 96' ' ' ASN . 7.1 p -43.46 -64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.366 -177.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.643 ' H ' ' CG1' ' A' ' 95' ' ' VAL . 6.0 m-20 166.43 59.69 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 111.037 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.85 -161.64 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.772 2.315 . . . . 0.0 111.244 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -19.75 66.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.65 -46.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.009 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.436 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 87.2 mtp -72.15 -33.01 67.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.434 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -59.12 -50.56 73.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -48.35 -17.31 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.099 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.542 ' C ' ' H ' ' A' ' 105' ' ' GLN . 11.4 t -101.57 -50.04 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.689 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.76 15.73 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.542 ' H ' ' C ' ' A' ' 103' ' ' VAL . 87.5 mt-30 -136.59 -48.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 24.1 m -68.73 -18.88 64.31 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.585 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 57.79 69.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.57 152.14 44.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.8 pt -73.05 -16.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.62 -39.66 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.277 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 112' ' ' SER . 45.7 pttt -59.1 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.19 0.519 . . . . 0.0 110.138 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 9.5 m 50.19 -109.65 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.473 ' ND2' ' OE1' ' A' ' 119' ' ' GLU . 91.2 m-20 -66.51 -41.23 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 111.259 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 111' ' ' LYS . 37.5 p -156.46 164.78 37.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.576 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' SER . 86.7 mt-30 -38.93 -32.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.641 ' HG1' ' H ' ' A' ' 119' ' ' GLU . 0.1 OUTLIER -80.09 121.23 25.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.64 -179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -71.41 -35.75 71.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.659 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.78 -39.97 95.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.525 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.641 ' H ' ' HG1' ' A' ' 116' ' ' THR . 96.7 mt-10 58.46 11.92 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 122' ' ' HIS . 81.0 t60 -81.53 134.26 35.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 121' ' ' HIS . 97.6 m-70 -67.32 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -137.87 106.85 5.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -112.28 157.14 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.3 m80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.578 179.723 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.645 H111 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' N ' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.6 ' C ' ' H ' ' A' ' 5' ' ' LEU . 89.0 mt-30 -42.42 -23.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' OE1' ' H22' ' A' ' 201' ' ' MYR . 56.7 mp0 -53.28 -4.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.6 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -70.86 -44.57 66.12 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -72.88 -31.91 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 89.2 mt-30 -68.46 -44.6 74.5 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -58.95 -46.8 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.491 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.23 -56.62 9.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -52.52 -43.83 65.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -58.12 -59.1 5.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.613 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -42.15 -38.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.486 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.73 -32.74 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 11' ' ' TYR . 84.0 mt-30 -70.77 -45.88 63.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.35 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.0 mm? -60.42 -39.74 88.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.14 -40.54 97.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.83 -44.97 91.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.58 -57.88 9.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.702 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.7 -25.19 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.287 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -63.71 -33.57 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 71.5 p -70.65 -11.12 60.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.736 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -85.92 -1.47 57.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.51 3.38 88.79 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -66.01 149.15 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' VAL . 7.0 ptmt -50.47 -169.38 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -109.17 105.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -123.38 174.97 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -97.95 134.35 41.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.231 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.16 -44.36 11.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.417 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 30.1 t0 -53.38 -54.64 33.73 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.219 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.99 -61.57 2.3 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.727 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 18.8 mt -49.97 -43.78 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' NZ ' H131 ' A' ' 201' ' ' MYR . 75.4 tttt -77.16 -50.54 12.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.343 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 52.3 t80 -48.69 -63.44 1.09 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.426 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.65 -50.25 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.29 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 97.3 m-20 -57.77 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.581 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' ASP . 12.7 m-85 -57.27 -63.05 1.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.389 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' CYS . 72.2 t -42.62 -49.35 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -73.21 -21.29 60.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.2 t0 -80.93 -68.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.496 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -68.02 -42.24 85.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -117.84 75.9 10.56 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 111.344 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.64 -20.81 13.42 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.411 2.074 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.537 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 85.4 m95 -124.85 8.28 8.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.339 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 33.7 m-85 -150.87 63.53 5.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.55 3.33 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.044 2.496 . . . . 0.0 112.075 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.08 -48.15 81.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -112.89 -76.69 0.59 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.446 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 103.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.61 131.81 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 2.7 pp -46.32 129.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.508 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -131.64 139.68 49.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mt -94.07 -38.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.445 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.78 -44.88 92.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ARG . 82.5 mtt85 -73.27 -65.17 0.84 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.898 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 43.4 t-105 -41.71 -28.13 0.13 Allowed 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 67.2 ttp85 -73.08 -47.79 41.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.753 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ARG . 87.1 mtm180 -64.31 -55.93 17.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.914 0.387 . . . . 0.0 111.044 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.64 -23.06 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.8 -48.1 51.23 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.7 t70 -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 110.616 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 75.8 m -52.63 -67.28 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.806 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -60.79 -45.49 94.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.747 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -64.58 -62.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.6 t0 -52.48 -25.02 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -84.34 -42.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -62.36 -42.35 99.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -69.37 -59.73 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -50.28 -23.0 2.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 87.5 t80 -79.71 4.04 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.66 75.2 0.22 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -78.45 160.79 28.7 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.052 2.501 . . . . 0.0 112.365 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -100.11 -5.98 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.33 33.53 5.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 10.8 p -45.92 102.12 0.29 Allowed Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.743 0.652 . . . . 0.0 110.238 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -82.51 144.92 12.97 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.907 2.405 . . . . 0.0 112.537 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.22 -20.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.7 mt -51.83 -22.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.327 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -57.83 -64.39 0.92 Allowed 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -42.17 -32.39 0.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -61.43 -35.44 77.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -53.52 165.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.616 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.2 t90 69.55 -57.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.41 -36.29 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.93 -45.14 83.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.71 -59.71 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.721 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.59 -19.99 12.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.96 -54.25 10.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.27 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 91' ' ' ASP . 8.9 tt -54.76 -36.56 37.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 90' ' ' ILE . 88.6 m-20 -59.36 -63.99 1.11 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.18 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 99.2 mttt -61.41 -10.84 8.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.09 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' NZ ' H102 ' A' ' 201' ' ' MYR . 51.5 tttt -89.51 -10.34 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' ASN . 24.0 tp10 -47.97 -8.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 93' ' ' LYS . 3.4 p -45.26 -17.59 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.609 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 94' ' ' GLU . 6.3 m-80 81.68 64.55 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.486 0.491 . . . . 0.0 111.387 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.486 ' HB2' ' H ' ' A' ' 98' ' ' GLN . 59.2 Cg_endo -90.57 -129.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.392 2.728 . . . . 0.0 111.873 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.486 ' H ' ' HB2' ' A' ' 97' ' ' PRO . 63.1 tp60 -72.7 -25.87 61.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.16 -43.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.313 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.5 mmm -73.38 -26.11 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -70.2 -47.65 60.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.243 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -12.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.252 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.5 ' H ' ' C ' ' A' ' 101' ' ' ALA . 7.1 t -98.39 -51.13 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -13.57 46.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -101.66 -59.25 1.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.675 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -60.8 -41.65 96.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -124.58 87.01 2.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.637 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 141.23 51.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 pt -68.46 -14.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.49 -40.88 98.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' SER . 32.1 pttt -62.21 -31.9 72.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.231 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 m 52.85 -143.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.728 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 111' ' ' LYS . 5.3 p -84.54 -177.65 6.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.487 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -106.54 5.93 29.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.422 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 m -113.01 136.09 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.62 -27.15 58.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.55 -41.65 98.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 122' ' ' HIS . 95.6 mt-10 51.22 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -59.81 -41.92 92.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.713 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.7 m-70 -103.36 117.63 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.434 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -137.76 101.02 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -112.78 140.76 47.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.9 t60 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.527 179.81 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.595 H131 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.2 mt-30 -44.26 -47.06 9.36 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.384 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' OE1' ' NZ ' ' A' ' 93' ' ' LYS . 86.6 tt0 -42.33 -16.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.919 0.39 . . . . 0.0 110.734 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.3 tt -58.12 -43.04 86.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -58.07 -43.94 87.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.07 -41.02 91.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.305 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -58.58 -38.05 77.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.995 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -59.4 -61.71 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -52.85 -43.57 66.14 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.2 -50.76 71.8 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.26 -36.68 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.263 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.95 -36.71 75.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.13 -42.84 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.221 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -61.35 -38.86 88.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.16 -47.79 82.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.57 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.804 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.84 -27.45 63.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.541 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.27 -31.59 72.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.689 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 67.3 p -74.27 -15.71 60.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -79.07 2.35 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 1.44 65.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 25' ' ' LYS . 4.4 p -67.34 154.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.867 0.365 . . . . 0.0 110.684 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 ptmt -54.42 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.532 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.55 105.21 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -125.92 148.31 49.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.463 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -71.54 134.25 46.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.01 -42.02 14.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.465 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -53.87 -54.63 35.91 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.037 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.26 -59.39 4.8 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.351 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.7 tp -49.52 -45.05 46.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HZ2' H143 ' A' ' 201' ' ' MYR . 70.1 tttt -77.96 -47.52 18.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.051 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 69.1 t80 -55.21 -50.38 69.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.484 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.4 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.748 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -55.8 -56.06 25.0 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.01 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -55.85 -62.8 1.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.915 0.388 . . . . 0.0 111.883 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.497 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 70.5 t -43.81 -59.11 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.432 -177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -65.65 -37.76 87.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.694 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -63.94 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mt -67.59 -43.08 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.251 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -115.87 78.94 7.56 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 121.107 0.48 . . . . 0.0 111.393 -179.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -79.46 -24.29 6.53 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.374 2.049 . . . . 0.0 112.03 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 4.4 m0 -122.95 5.59 9.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.386 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 11.3 m-85 -147.2 66.42 10.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.695 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -77.34 1.44 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.854 2.37 . . . . 0.0 111.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -62.85 -50.84 69.34 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -115.9 -78.79 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.133 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.88 104.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 p -97.83 163.24 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.551 ' CG2' H102 ' A' ' 201' ' ' MYR . 2.0 pp -80.53 131.99 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NE ' ' A' ' 55' ' ' ARG . 97.4 m-20 -135.31 140.52 45.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.3 mt -93.57 -41.09 12.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.422 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 -45.94 80.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ARG . 52.3 mtm-85 -71.95 -64.42 0.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.645 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -43.04 -25.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -73.47 -46.12 50.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 10.7 mmm-85 -64.24 -51.65 62.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.859 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.35 -23.71 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 0.0 110.351 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.8 -48.71 53.78 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 65' ' ' ASP . 27.7 t70 -65.79 -38.16 88.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.2 m -53.82 -67.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.855 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.49 -40.44 97.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.14 -62.56 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.939 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.2 t0 -53.85 -22.97 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -82.53 -42.17 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.695 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 62.6 t80 -64.12 -41.7 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -69.26 -59.95 2.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -50.27 -20.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.395 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 93.2 t80 -82.93 4.48 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.93 74.03 0.33 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 57.9 Cg_endo -78.82 158.72 27.83 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.954 2.436 . . . . 0.0 112.283 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -99.99 -4.02 30.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.62 31.97 5.75 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.306 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.7 p -47.02 102.91 0.33 Allowed Pre-proline 0 CA--C 1.532 0.264 0 O-C-N 123.389 0.431 . . . . 0.0 110.239 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.29 145.05 13.36 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.665 2.243 . . . . 0.0 112.769 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.8 p -75.81 -23.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.347 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.436 ' O ' ' OG ' ' A' ' 81' ' ' SER . 80.3 mt -46.03 -19.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.403 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -60.49 -60.28 4.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.4 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -45.49 -41.11 9.2 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.402 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 18.8 p -62.15 -44.99 95.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.4 m-85 -54.2 178.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 13.5 t90 65.68 -64.53 0.19 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 82' ' ' TYR . 70.0 m-20 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.03 -34.13 77.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.858 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.39 -44.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.208 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -66.0 -56.69 10.34 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.594 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.6 -21.37 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.445 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.41 -55.0 13.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 tt -53.76 -33.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.011 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 91.0 m-20 -58.55 -62.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.521 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.17 -40.9 97.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.0 tttt -62.89 -15.44 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.176 0.512 . . . . 0.0 111.057 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 10.9 pt-20 -55.31 -3.68 0.07 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.947 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 93' ' ' LYS . 14.9 t -45.75 -69.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.02 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 27.9 t30 170.04 60.18 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.482 0 O-C-N 123.587 0.554 . . . . 0.0 110.647 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.3 Cg_endo -91.07 -158.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 123.448 2.765 . . . . 0.0 112.028 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.81 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.313 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.18 -44.33 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.179 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.01 -31.84 70.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.58 -47.63 69.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.749 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -16.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.8 t -92.46 -51.4 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.501 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 -25.36 68.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.245 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.19 -59.63 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.8 m -61.2 -40.91 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.509 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.99 77.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.26 152.15 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.473 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 pt -76.05 -15.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.87 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.25 -40.89 98.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.506 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -64.87 142.57 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 116' ' ' THR . 38.9 m -97.82 -132.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.238 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -62.34 -40.77 97.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -152.21 96.1 2.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.453 ' O ' ' OG1' ' A' ' 116' ' ' THR . 59.4 tt0 38.0 77.16 0.05 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 112' ' ' SER . 3.9 m -168.61 144.24 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.439 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -100.52 2.45 41.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.685 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.2 -41.72 99.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.65 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 122' ' ' HIS . 99.7 mt-10 54.69 99.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -66.23 -40.7 90.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -60.44 -47.12 87.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 119' ' ' GLU . 58.3 m80 -92.79 150.31 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -104.85 132.91 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.463 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -111.32 147.33 35.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.528 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.572 H143 ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.2 mt-30 -43.94 -42.28 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' OE2' ' H82' ' A' ' 201' ' ' MYR . 84.7 tt0 -41.39 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.547 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.7 tt -56.16 -41.3 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.187 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -61.46 -42.14 98.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.647 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.41 -37.47 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.711 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 84.7 t60 -58.04 -40.9 82.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.16 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.64 -62.7 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.28 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -50.49 -44.96 56.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.741 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.73 -52.65 63.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.739 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.1 -38.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.97 -38.28 79.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -63.93 -41.33 97.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.4 mm? -64.49 -40.01 94.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.725 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.09 -40.47 95.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.77 -45.84 85.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.28 36.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.56 -32.94 73.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.027 0.442 . . . . 0.0 110.362 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -59.46 -27.34 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.62 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 p -72.33 -7.61 50.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.453 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -96.14 -11.72 25.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 76.96 3.67 81.32 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.563 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.5 p -60.01 66.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.4 ptmt 37.35 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.714 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 100.47 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' ' CD1' ' A' ' 32' ' ' LEU . 64.1 tttt -112.79 159.38 19.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.308 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -91.12 131.49 36.65 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.211 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.28 -41.11 13.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.686 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -52.73 -56.1 17.99 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.83 -59.07 5.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.377 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CD1' ' NZ ' ' A' ' 27' ' ' LYS . 1.7 tt -49.24 -46.0 45.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.695 ' NZ ' H121 ' A' ' 201' ' ' MYR . 63.9 tttt -77.08 -48.97 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.309 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 89.2 t80 -51.51 -64.19 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.811 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 21.4 t80 -57.14 -50.19 73.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.201 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 38.7 t0 -54.05 -57.88 9.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.372 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CE2' ' NE1' ' A' ' 56' ' ' TRP . 7.3 m-85 -62.69 -56.26 19.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.544 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' CYS . 14.7 t -46.8 -56.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.715 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -67.25 -44.22 79.97 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.402 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' OD1' ' CG1' ' A' ' 59' ' ' VAL . 37.1 t0 -60.82 -67.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.293 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -43.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.554 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.62 79.22 30.17 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.282 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.88 -19.73 9.47 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.484 2.122 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.5 m0 -121.99 -2.6 9.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.506 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.1 m-85 -142.83 65.84 16.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.421 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.17 3.06 4.9 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.983 2.456 . . . . 0.0 112.133 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -61.96 -51.28 68.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.08 -79.16 0.58 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.106 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.39 92.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -87.25 168.91 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.13 129.38 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.759 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -133.83 141.0 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.0 mt -93.21 -38.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.53 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' ARG . 79.8 mmt-85 -77.27 -64.93 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.732 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' NE1' ' CE2' ' A' ' 37' ' ' PHE . 33.1 t90 -42.22 -31.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -73.86 -44.54 55.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.022 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 90.5 mtt-85 -64.06 -54.34 35.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.141 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.429 ' CG1' ' OD1' ' A' ' 40' ' ' ASP . 76.7 t -73.48 -22.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.55 -45.69 58.44 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.7 t70 -70.9 -40.59 72.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.3 m -51.6 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.928 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.3 -45.07 89.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.397 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -66.25 -60.8 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 111.44 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ASP . 36.9 t0 -53.73 -31.51 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.346 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.25 -45.45 40.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.871 0.367 . . . . 0.0 110.96 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -63.82 -38.7 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.619 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.57 -61.06 2.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 39.9 m -46.29 -28.78 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.385 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.5 -52.65 56.78 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.437 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.25 69.03 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.5 Cg_endo -80.75 163.35 21.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.074 2.516 . . . . 0.0 112.307 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -100.92 1.24 39.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.015 0.436 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -126.4 27.59 6.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 11.2 p -45.85 102.51 0.3 Allowed Pre-proline 0 C--O 1.234 0.249 0 O-C-N 123.554 0.534 . . . . 0.0 110.315 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -81.47 149.95 16.89 Favored 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.674 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.44 -16.77 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.442 ' O ' ' OG ' ' A' ' 81' ' ' SER . 58.8 mt -48.73 -25.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.178 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.26 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.467 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -49.01 -42.88 39.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 17.5 p -59.17 -42.73 91.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.508 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.1 m-85 -57.42 -179.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.401 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.0 t90 65.4 -64.79 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.685 0.616 . . . . 0.0 110.527 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 82' ' ' TYR . 65.6 m-20 -61.32 -42.45 98.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.0 -36.0 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -56.28 -43.06 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.138 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -67.76 -57.15 6.81 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.64 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -59.4 -21.82 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.418 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.29 -55.72 12.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 91' ' ' ASP . 7.6 tt -53.86 -33.87 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.139 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 90' ' ' ILE . 93.7 m-20 -58.54 -63.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.15 -43.31 98.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.745 ' HZ1' H102 ' A' ' 201' ' ' MYR . 58.3 tttt -61.67 -14.75 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.685 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.54 -4.14 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.522 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.558 ' H ' ' C ' ' A' ' 93' ' ' LYS . 17.2 t -43.02 -66.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.683 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.521 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 p30 165.56 59.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.042 0.214 . . . . 0.0 110.781 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.7 Cg_endo -90.9 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 123.07 2.513 . . . . 0.0 112.427 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -61.23 -22.56 64.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.128 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.17 -44.77 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 50.6 mmm -66.84 -32.9 74.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.64 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -49.11 -20.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.193 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -51.69 11.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.262 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.81 83.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.037 0.446 . . . . 0.0 109.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.63 -54.85 13.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.703 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 13.3 m -63.11 -41.15 99.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.682 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -121.94 76.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.94 148.36 50.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.348 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.19 -37.7 78.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.294 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.3 mt -75.81 85.3 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -142.33 159.97 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -63.48 -40.53 97.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -50.03 -39.0 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' GLN . 5.1 p -67.13 161.12 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 85.0 mt-30 -36.22 -48.09 0.61 Allowed 'General case' 0 N--CA 1.461 0.094 0 O-C-N 123.375 0.422 . . . . 0.0 110.677 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.9 p -143.16 155.59 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -78.54 -53.1 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.568 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 120' ' ' HIS . 96.7 mt -64.6 -40.75 96.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.723 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 56.68 5.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.508 ' H ' ' C ' ' A' ' 118' ' ' LEU . 9.5 m-70 -66.66 -40.15 88.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.05 148.62 46.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -105.0 131.84 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.88 93.65 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -111.91 131.14 55.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.581 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.745 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' LEU . 99.3 mm-40 -42.96 -43.01 3.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 28.9 tp10 -43.23 -14.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.685 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.8 tt -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.149 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -61.21 -44.67 96.9 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.553 . . . . 0.0 110.175 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.19 -41.37 97.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.453 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.488 ' CE1' H111 ' A' ' 201' ' ' MYR . 7.4 t60 -61.3 -39.35 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.306 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -52.57 -57.17 10.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.036 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -50.98 -43.84 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.322 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.34 -50.72 72.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.793 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -45.93 -36.29 2.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.31 -36.57 77.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.483 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.69 -41.24 83.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -63.44 -41.32 98.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.029 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -61.77 -40.68 96.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.271 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.75 -43.55 94.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -61.05 -55.33 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.7 -26.34 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.169 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -63.3 -35.1 79.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 72.1 p -69.1 -16.34 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 85.2 mtp180 -84.38 -5.3 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.62 2.32 35.25 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 ' O ' ' O ' ' A' ' 25' ' ' LYS . 8.7 p -64.0 64.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 24' ' ' VAL . 19.2 ptmt 36.49 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.476 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.43 106.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.621 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -124.02 144.73 49.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -70.07 133.27 47.01 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.209 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.92 -41.3 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.361 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 6.9 t0 -53.73 -56.0 21.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.181 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.58 -60.37 3.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.292 0.37 . . . . 0.0 111.351 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.76 -44.29 18.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' NZ ' H132 ' A' ' 201' ' ' MYR . 77.1 tttt -74.79 -49.41 20.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 m-85 -51.15 -67.45 0.25 Allowed 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' CE1' ' NZ ' ' A' ' 39' ' ' LYS . 51.9 t80 -44.8 -62.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 111.383 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -57.78 -61.85 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' ASP . 2.6 t80 -54.26 -67.73 0.24 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 4.9 m -42.56 -38.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.075 0.464 . . . . 0.0 111.073 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' NZ ' ' CE1' ' A' ' 35' ' ' PHE . 81.4 mttt -84.2 -21.41 31.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.324 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.5 t0 -70.99 -68.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.956 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -90.94 -4.47 10.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -134.39 56.58 18.89 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.729 0.776 . . . . 0.0 110.698 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 46.8 Cg_endo -72.21 -21.03 24.02 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.239 1.959 . . . . 0.0 112.16 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -119.84 -1.83 10.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -143.27 69.73 17.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.569 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.8 -1.04 11.22 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 123.057 2.505 . . . . 0.0 112.117 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.71 -51.05 68.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -119.5 -79.56 0.6 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.61 96.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 p -84.06 165.24 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.316 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.49 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.5 pp -83.48 132.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -139.49 142.12 37.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.517 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -93.56 -39.25 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.63 -45.38 83.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.023 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' ARG . 93.0 mtt180 -69.95 -65.39 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.295 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 56' ' ' TRP . 43.6 t90 -42.32 -27.37 0.14 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.711 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 62.1 ttm-85 -71.56 -46.72 58.65 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.521 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 96.4 mtt-85 -63.42 -54.28 39.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.425 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.77 -23.36 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 -47.0 53.04 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.0 t70 -71.51 -43.53 66.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.4 m -49.95 -65.6 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -62.48 -47.46 83.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.231 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.48 -61.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.403 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.0 t0 -51.54 -31.94 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -77.46 -43.06 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.95 -41.69 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -75.7 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.069 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.1 m -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.73 -54.46 26.9 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.597 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.03 68.95 0.19 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.4 159.46 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.061 2.508 . . . . 0.0 112.35 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -102.27 -6.06 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -116.56 24.39 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.2 p -43.43 100.91 0.23 Allowed Pre-proline 0 CA--C 1.534 0.333 0 O-C-N 123.814 0.697 . . . . 0.0 110.041 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.83 147.65 17.14 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.859 2.373 . . . . 0.0 112.547 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.34 -20.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.483 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 84.6 mt -52.3 -22.41 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.61 -62.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -45.78 -43.55 13.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.483 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 17.6 m -57.5 -44.35 84.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -57.29 -179.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.433 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.711 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 45.9 t90 67.79 -67.07 0.19 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.448 0.467 . . . . 0.0 110.507 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.7 m-20 -61.18 -40.44 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.6 -35.35 80.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -57.93 -42.01 81.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.192 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -67.1 -59.2 3.66 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.623 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.18 -18.44 36.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.589 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.67 -54.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.682 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -58.25 -30.52 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.097 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.07 -64.8 0.81 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.043 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.56 -41.47 90.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.732 ' HZ3' H101 ' A' ' 201' ' ' MYR . 84.3 tttt -63.81 -14.99 57.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.32 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.66 -5.17 0.52 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.936 0.398 . . . . 0.0 110.692 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 93' ' ' LYS . 18.5 t -44.69 -66.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.776 -177.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.503 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.7 t30 168.34 62.01 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.474 0.654 . . . . 0.0 110.837 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.8 Cg_endo -91.46 -159.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.301 -1.929 0 C-N-CA 122.927 2.418 . . . . 0.0 112.139 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.24 -18.3 64.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.354 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.06 -44.28 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.347 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mtp -69.51 -29.13 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.474 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -68.43 -45.48 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.459 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -14.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.252 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 101' ' ' ALA . 3.4 t -93.63 -53.09 8.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.167 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.33 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -81.81 -55.34 4.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.673 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -62.95 -42.82 99.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.753 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -117.66 78.71 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.53 162.9 26.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 pt -57.89 -31.57 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.564 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.24 124.72 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.427 ' O ' ' OD2' ' A' ' 117' ' ' ASP . 42.6 pttt -173.38 -177.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 t -60.96 -44.5 97.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.08 -39.77 93.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.739 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.414 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 77.8 p -66.19 156.6 33.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.553 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.07 -39.6 95.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.4 m -95.73 133.14 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.299 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 111' ' ' LYS . 77.3 m-20 -119.44 18.24 12.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 120' ' ' HIS . 91.9 mt -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 51.55 9.53 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.526 ' H ' ' C ' ' A' ' 118' ' ' LEU . 65.2 m80 -66.25 -39.93 89.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -104.11 128.47 51.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -112.98 123.88 51.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.45 101.74 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -112.66 155.47 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.569 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.732 H101 ' HZ3' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.56 ' C ' ' H ' ' A' ' 5' ' ' LEU . 79.3 mt-30 -49.42 -41.5 39.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.628 0.252 . . . . 0.0 110.63 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -48.59 -8.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.5 tt -55.73 -45.18 78.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -61.46 -40.79 95.8 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.54 -37.96 89.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.47 -40.58 95.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -49.65 -45.43 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.578 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -62.95 -51.7 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.07 -37.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.06 -37.18 75.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.8 mt-30 -66.4 -41.77 88.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.2 mm? -63.21 -39.74 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.089 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.11 -48.33 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 110.945 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -52.99 -54.94 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.87 -32.13 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.928 0.394 . . . . 0.0 110.618 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.76 -22.29 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.507 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 68.8 p -87.47 -3.38 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.503 HH22 ' CB ' ' A' ' 81' ' ' SER . 89.2 mtt180 -91.85 10.39 28.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.798 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.28 -7.45 37.81 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -62.86 145.95 13.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.666 0.269 . . . . 0.0 110.532 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 24' ' ' VAL . 5.7 ptmt -52.37 -167.59 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.91 103.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -125.56 154.86 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.8 134.66 36.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.271 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -43.06 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.132 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.1 t0 -53.18 -56.21 18.21 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -61.03 2.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.007 0.432 . . . . 0.0 111.532 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -47.99 -45.28 31.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HZ1' ' CD1' ' A' ' 89' ' ' LEU . 75.5 tttt -77.35 -49.26 15.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.917 0.389 . . . . 0.0 111.09 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 66.4 t80 -49.88 -61.09 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.537 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.18 -50.59 73.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -54.45 -60.76 2.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 56' ' ' TRP . 10.3 m-85 -61.2 -59.88 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 70.6 t -42.4 -52.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.9 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -65.15 -25.24 67.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.76 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' PHE . 56.6 t0 -85.95 -69.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.342 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 42' ' ' CYS . 1.5 pt -60.2 -43.09 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -122.82 79.97 49.42 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 121.299 0.571 . . . . 0.0 110.983 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -79.79 -23.23 7.03 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -119.55 1.15 11.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 68.2 m-85 -146.69 64.37 9.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -71.54 1.83 5.19 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.942 2.428 . . . . 0.0 112.201 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -63.77 -46.9 83.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -106.35 -79.02 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.76 117.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.66 149.37 45.52 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.76 132.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -135.44 144.42 46.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -97.18 -41.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.593 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.83 -46.69 71.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.928 0.394 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . 72.0 mmt-85 -70.93 -66.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.79 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 82' ' ' TYR . 1.3 t90 -42.12 -25.2 0.06 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -73.03 -45.17 59.19 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.14 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' ARG . 93.8 mtt-85 -64.15 -54.52 32.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -24.03 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.764 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -45.49 67.81 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.1 t70 -70.15 -42.84 71.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.991 0.424 . . . . 0.0 110.6 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -49.81 -65.01 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.78 -48.21 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.69 -61.31 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.193 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 61' ' ' ASP . 12.4 t70 -52.2 -30.4 27.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -77.26 -45.28 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.87 -40.6 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -77.68 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.6 m -45.05 -27.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.3 -53.44 43.93 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.598 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.413 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 123.53 68.75 0.22 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.8 Cg_endo -77.93 161.24 30.16 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.987 2.458 . . . . 0.0 112.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -101.48 0.52 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -124.17 27.91 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.3 p -44.88 101.06 0.24 Allowed Pre-proline 0 C--O 1.236 0.344 0 O-C-N 123.905 0.753 . . . . 0.0 109.866 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.75 153.71 17.52 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.775 2.317 . . . . 0.0 112.59 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.31 -9.9 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -50.64 -22.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.94 -61.79 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -44.78 -44.95 9.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.705 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.503 ' CB ' HH22 ' A' ' 22' ' ' ARG . 11.2 p -61.23 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 25.5 t80 -53.03 165.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.656 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 75.95 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.24 -41.14 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.32 -41.11 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.7 mm -55.37 -46.3 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.318 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -64.5 -58.04 7.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.184 0.516 . . . . 0.0 110.751 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 26.9 tp10 -57.52 -26.95 62.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.532 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.439 ' CD1' ' HZ1' ' A' ' 33' ' ' LYS . 9.0 mt -65.45 -55.97 15.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 91' ' ' ASP . 5.8 tt -51.81 -35.48 17.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 90' ' ' ILE . 64.6 m-20 -57.71 -62.84 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.224 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 60.8 mttp -63.08 -38.63 91.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.823 ' HZ2' H102 ' A' ' 201' ' ' MYR . 40.0 tttt -56.02 -15.2 3.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 96' ' ' ASN . 47.9 mm-40 -45.93 -7.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.601 ' H ' ' C ' ' A' ' 93' ' ' LYS . 58.1 t -43.8 -17.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER 88.09 63.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 O-C-N 123.877 0.736 . . . . 0.0 111.271 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.7 Cg_endo -89.75 -147.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 123.123 2.549 . . . . 0.0 112.036 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.459 ' HB2' ' H31' ' A' ' 201' ' ' MYR . 65.7 tp60 -63.72 -29.13 70.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.332 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.4 t -51.52 -45.95 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 71.8 mmm -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -66.53 -53.66 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.455 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.99 -16.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.114 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t -95.74 -51.42 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.16 -1.77 3.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.937 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 103' ' ' VAL . 90.2 mt-30 -110.86 -57.65 2.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.661 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -62.29 -40.03 94.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.391 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -119.79 83.67 2.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -72.93 161.25 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.7 tt -63.19 -33.53 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.57 109.81 14.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 57.8 pttt -162.86 -166.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.8 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -45.02 -44.25 9.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.563 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.62 -38.57 90.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.478 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 t -71.24 159.03 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.24 -38.98 92.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.725 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 p -124.28 152.43 43.05 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 111' ' ' LYS . 97.3 m-20 -134.55 5.23 3.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.706 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.43 -40.9 98.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 55.14 -107.86 0.4 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -105.49 135.33 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.58 -44.32 87.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -79.92 124.45 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -112.15 140.95 46.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -110.32 155.01 22.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.55 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.823 H102 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' LEU . 75.1 mt-30 -45.43 -49.16 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.515 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -43.08 -16.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.978 0.418 . . . . 0.0 110.852 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.1 tt -57.29 -43.31 83.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.023 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -57.49 -45.59 84.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.15 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.677 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 83.3 t60 -60.78 -35.17 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.241 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.78 -62.59 1.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.035 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -51.27 -43.84 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.023 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 92' ' ' LYS . 5.2 m-85 -60.98 -51.83 67.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -47.35 -41.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.194 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -70.95 -35.37 72.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -68.84 -43.4 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.05 -40.74 98.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.879 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.29 -38.37 89.1 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.952 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.51 -41.99 99.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.626 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -58.29 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.62 -26.09 66.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 110.031 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -64.74 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.5 p -70.24 -4.82 23.6 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.901 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.56 4.74 51.88 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.585 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.83 0.29 84.52 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p -63.6 145.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.358 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.7 ptmt -53.82 -164.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.43 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.71 101.2 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -123.61 166.53 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.396 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -91.04 131.28 36.73 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.134 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.62 -41.65 13.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.796 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.7 t0 -53.63 -50.45 65.68 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.449 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.45 -57.47 11.13 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.399 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.17 -44.13 83.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.354 -177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.719 ' NZ ' H121 ' A' ' 201' ' ' MYR . 72.5 tttt -74.27 -51.89 13.94 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 70.3 t80 -52.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.439 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.612 ' CD2' ' NZ ' ' A' ' 39' ' ' LYS . 50.5 t80 -41.93 -60.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.18 -58.15 9.89 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' ' NE1' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -56.56 -62.88 1.42 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.067 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -51.52 -37.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.894 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.612 ' NZ ' ' CD2' ' A' ' 35' ' ' PHE . 61.0 mttp -81.31 -22.35 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.205 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 66.6 t0 -78.28 -66.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.051 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' CD1' ' H ' ' A' ' 52' ' ' ASP . 94.8 mt -64.52 -43.14 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.574 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.93 78.97 16.77 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.311 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.67 -18.8 10.36 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.494 2.129 . . . . 0.0 112.268 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-90 -120.14 1.3 10.83 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.385 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 8.4 m-85 -151.27 63.16 5.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.6 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.51 2.79 6.49 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.251 2.634 . . . . 0.0 112.174 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -66.51 -42.81 86.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' GLY . 28.1 tt0 -123.12 10.31 9.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.155 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . -28.14 106.6 0.01 OUTLIER Glycine 0 N--CA 1.469 0.869 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 p -97.43 170.35 9.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -90.58 132.93 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' CG ' HH11 ' A' ' 55' ' ' ARG . 95.0 m-20 -137.83 141.71 40.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.276 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.3 -42.07 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.12 -46.77 76.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 HH11 ' CG ' ' A' ' 52' ' ' ASP . 36.8 mtm-85 -70.17 -63.96 0.98 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.616 ' NE1' ' CE1' ' A' ' 37' ' ' PHE . 50.3 t90 -43.99 -30.52 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.92 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.08 -46.29 62.14 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.515 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 83.1 mtp180 -63.61 -52.67 59.87 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.061 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 61.9 t -73.32 -22.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.71 -47.71 59.98 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.3 t70 -69.81 -39.61 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.785 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.653 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -63.71 -43.96 95.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.09 -61.02 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.1 t0 -50.92 -25.18 4.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -84.13 -42.43 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.688 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -61.51 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' PHE . 34.8 t30 -69.81 -59.97 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -49.42 -16.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.204 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' PHE . 87.9 t80 -86.8 6.53 31.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.78 72.26 0.54 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.2 160.45 29.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.858 2.372 . . . . 0.0 112.167 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -100.7 -6.42 25.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -119.03 31.35 6.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.036 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -47.15 102.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.41 144.05 12.67 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.417 2.078 . . . . 0.0 113.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -27.68 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.43 -23.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.322 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.26 -62.19 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.051 0.453 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -46.52 -40.69 13.01 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.557 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 p -59.52 -44.19 93.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.672 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' ASN . 9.8 m-85 -57.16 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 47.1 t90 64.0 -67.59 0.1 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' TYR . 33.3 m-80 -60.62 -42.1 96.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.465 . . . . 0.0 110.384 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.54 -33.41 75.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.615 179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -58.11 -42.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -65.42 -55.13 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.009 -0.677 . . . . 0.0 110.634 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -61.51 -23.65 66.07 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.39 -52.03 44.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.074 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.3 tt -53.92 -36.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 0.0 109.582 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -57.55 -55.44 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.263 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 98.2 mttt -60.69 -37.83 82.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.185 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 95' ' ' VAL . 13.3 mmtt -59.61 -15.74 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.982 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.07 -10.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.513 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 93' ' ' LYS . 10.3 t -49.43 -66.26 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.971 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.472 ' OD1' ' SD ' ' A' ' 100' ' ' MET . 5.2 m-20 160.49 66.59 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 121.187 0.517 . . . . 0.0 109.918 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -93.69 -167.31 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 123.496 2.797 . . . . 0.0 112.013 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.49 -23.91 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.175 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -59.48 -43.48 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.996 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.472 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 63.3 ttp -65.92 -34.32 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.219 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.42 78.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -51.14 -20.47 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.414 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -87.36 -52.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.32 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.12 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.079 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -66.36 -52.58 45.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -62.61 -40.38 96.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.392 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -136.23 88.06 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.036 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.11 151.71 46.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.447 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 114' ' ' SER . 13.3 tt -64.09 -25.8 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.756 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 mt -89.7 109.38 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.185 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -175.05 175.07 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.631 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.8 t -60.13 -42.51 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -59.05 -39.86 83.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.174 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ILE . 4.8 p -73.93 -175.41 2.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.214 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 87.4 mt-30 -36.37 -91.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 p -139.69 149.45 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.715 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -70.79 -33.16 70.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.053 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.43 -31.96 73.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 60.36 98.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.278 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -99.11 136.33 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.251 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -122.97 146.47 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -126.51 142.92 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -103.8 136.18 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -111.16 158.96 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.667 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.719 H121 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.561 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.4 mt-30 -46.88 -47.45 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.56 0.219 . . . . 0.0 110.494 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -42.7 -17.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.084 0.468 . . . . 0.0 110.362 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.8 tt -56.59 -42.89 79.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' A' ' 7' ' ' GLN . 78.7 p -57.16 -44.73 83.73 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.075 0.464 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.57 ' N ' ' HG ' ' A' ' 6' ' ' SER . 25.7 tp60 -62.93 -36.98 85.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.069 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.62 -41.36 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.153 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.54 -62.63 1.74 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.307 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -47.17 -45.98 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.463 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.92 -50.2 74.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.077 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -44.99 -39.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.15 -39.56 82.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.72 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.72 -41.43 97.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.036 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.65 -40.46 95.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.61 -46.9 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.51 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.47 -32.66 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.554 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -59.42 -31.25 69.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.803 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 66.8 p -74.14 -9.99 59.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.803 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -89.32 -5.21 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.07 2.3 52.3 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.562 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.3 p -63.8 64.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.5 ptmt 34.8 -162.94 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.546 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.9 t -110.57 97.8 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.517 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -119.57 146.91 45.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.29 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -75.68 133.58 40.77 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.511 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.08 -42.74 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.562 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 64.6 t0 -46.73 -48.87 20.29 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.993 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.53 -60.53 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.6 mt -47.22 -47.94 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.641 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.61 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 21.9 mmtt -74.78 -48.24 26.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.765 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 78.5 t80 -51.77 -64.33 0.85 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.28 -50.91 71.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.395 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 19.7 t0 -51.34 -60.31 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.557 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 3.4 m-85 -64.06 -50.45 68.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.702 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 46.9 t -48.09 -60.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.96 -45.08 83.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 6.3 t0 -60.84 -69.1 0.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.305 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.41 -42.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.767 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -121.62 79.78 39.11 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-O 121.406 0.622 . . . . 0.0 110.909 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -81.27 -23.74 4.98 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.613 2.208 . . . . 0.0 112.561 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -119.51 -4.14 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -143.74 73.06 17.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 2.52 8.18 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.343 2.695 . . . . 0.0 111.927 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -64.42 -48.91 73.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -102.18 -79.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.707 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.32 118.39 0.07 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -122.07 167.74 12.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.757 0.313 . . . . 0.0 110.488 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -90.83 124.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.472 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -136.1 139.1 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.954 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.3 mt -93.85 -38.46 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.728 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -45.54 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 110.562 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 57' ' ' ARG . 36.9 ttm180 -68.05 -65.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.481 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -42.5 -25.36 0.08 Allowed 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.073 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -74.19 -46.14 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.933 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 78.8 mtp85 -63.67 -51.61 64.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.26 -22.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.3 -47.75 56.32 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 65' ' ' ASP . 16.8 t70 -67.91 -41.2 83.0 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.663 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.1 m -51.25 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.815 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.18 -46.61 88.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.93 -62.43 1.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.033 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.6 t0 -51.32 -25.0 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.479 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -82.42 -42.69 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 79.6 t80 -61.51 -42.38 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.425 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -70.13 -58.85 3.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -51.14 -19.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 89.0 t80 -81.39 3.41 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.78 72.41 0.55 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.2 Cg_endo -77.34 159.24 32.99 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 123.016 2.477 . . . . 0.0 112.288 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -102.12 -3.96 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -121.07 30.22 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.4 p -46.35 102.68 0.32 Allowed Pre-proline 0 C--O 1.235 0.34 0 O-C-N 123.709 0.631 . . . . 0.0 110.125 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.91 152.27 16.74 Favored 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 122.921 2.414 . . . . 0.0 112.601 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -79.34 -7.28 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.04 -20.89 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.456 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -63.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -43.76 -44.38 6.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.531 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -60.58 -43.43 97.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -55.71 164.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.12 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.71 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.1 t90 78.84 -65.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.9 -41.83 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.9 -41.02 92.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.9 mm -50.63 -51.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.715 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.59 -53.92 47.32 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.25 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.67 -25.81 60.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.74 -59.91 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 5.7 tt -53.59 -36.86 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.609 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.416 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 85.5 m-20 -58.34 -65.21 0.69 Allowed 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.498 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.66 -15.55 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.472 ' NZ ' H142 ' A' ' 201' ' ' MYR . 8.2 mtpt -89.21 -11.66 43.05 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -51.86 -11.08 0.13 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -47.63 -66.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -178.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.431 ' H ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 166.32 66.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 178.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 37.4 Cg_endo -91.48 -164.96 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.165 2.577 . . . . 0.0 112.086 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.77 -26.37 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.203 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.89 -43.23 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.044 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.5 ttm -66.09 -35.63 81.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.076 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.89 75.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -49.68 -20.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.107 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.47 -53.12 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.14 72.27 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -70.56 -52.28 22.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 18.7 m -61.09 -40.84 95.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -132.24 83.11 2.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.618 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.35 168.67 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.8 pt -86.58 -8.21 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.712 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.428 ' O ' ' OD2' ' A' ' 117' ' ' ASP . 4.4 mm? -61.9 -42.05 98.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.779 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' SER . 27.1 pttt -71.02 -29.58 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.37 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.425 ' OG ' ' OE1' ' A' ' 119' ' ' GLU . 0.7 OUTLIER 54.1 -149.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.932 -179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.54 -40.08 95.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 111' ' ' LYS . 86.0 p -79.48 173.15 12.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -88.61 -3.6 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 p -130.96 158.49 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 110' ' ' LEU . 84.4 m-20 -72.51 -23.21 60.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.17 -39.79 93.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.425 ' OE1' ' OG ' ' A' ' 112' ' ' SER . 97.5 mt-10 58.59 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.482 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -111.48 135.21 52.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -113.16 136.74 52.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -73.42 132.46 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -120.89 129.61 53.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -104.87 144.92 31.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.535 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.472 H142 ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.563 ' C ' ' H ' ' A' ' 5' ' ' LEU . 80.8 mt-30 -48.43 -43.66 34.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.625 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -46.81 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.563 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.0 tt -49.31 -37.56 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -58.9 -44.3 91.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.9 -37.9 86.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.685 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 81.1 t60 -58.16 -39.61 79.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.26 -64.34 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -46.54 -47.98 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.4 m-85 -61.54 -53.51 55.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.527 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -42.75 -40.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.13 -37.52 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -64.87 -44.31 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -62.07 -40.26 95.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.56 -43.6 96.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.78 -44.68 82.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.67 -54.24 48.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.592 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' CD2' ' NH2' ' A' ' 22' ' ' ARG . 53.6 mt -65.09 -31.92 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.85 -27.54 66.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 63.2 p -79.82 -4.46 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH2' ' CD2' ' A' ' 19' ' ' LEU . 97.3 mtt180 -95.42 -2.23 49.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 71.56 -2.34 23.23 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.634 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.5 p -63.26 67.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.629 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.3 ptmt 35.02 -167.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.571 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.76 106.71 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.546 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -117.87 154.98 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.0 133.73 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.23 -39.86 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.531 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.6 t70 -52.64 -59.26 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.91 -61.02 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.3 tp -45.65 -46.47 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.739 ' NZ ' H121 ' A' ' 201' ' ' MYR . 75.6 tttt -77.68 -49.43 14.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 63.3 t80 -49.88 -62.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.71 -52.77 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 62.5 t0 -51.76 -60.53 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.74 -52.28 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.635 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 48.8 t -47.81 -59.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -66.4 -43.32 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -60.72 -71.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.14 -42.82 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.99 80.2 34.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 -178.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.19 -19.92 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.81 2.34 . . . . 0.0 112.096 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -125.42 -2.92 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -140.78 68.77 30.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -77.18 2.42 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.789 2.326 . . . . 0.0 112.1 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.11 -51.72 66.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -121.63 -83.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 102.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -86.47 168.34 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.556 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -87.97 128.33 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -133.85 140.9 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -91.34 -33.99 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.75 -45.08 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.531 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 58' ' ' ARG . 78.8 mtp85 -71.01 -68.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.459 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 14.9 t90 -38.36 -27.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttp180 -74.86 -45.69 41.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 55' ' ' ARG . 99.6 mtt180 -63.85 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.0 -25.04 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -45.4 79.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASP . 23.8 t70 -70.2 -40.84 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.4 m -51.19 -67.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.56 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.618 HE21 HD22 ' A' ' 68' ' ' ASN . 62.1 tp60 -63.64 -62.06 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.4 t0 -53.8 -23.49 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -83.77 -43.43 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 69.3 t80 -62.54 -38.67 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.618 HD22 HE21 ' A' ' 64' ' ' GLN . 96.4 m-20 -72.99 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -50.95 -18.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 88.9 t80 -84.94 4.2 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.0 75.0 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.8 Cg_endo -79.65 164.83 23.11 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.733 2.289 . . . . 0.0 112.162 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -100.6 -3.02 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 70.3 mmtt -127.8 33.41 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.599 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.46 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 11.3 p -44.57 102.22 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 56.7 Cg_endo -82.15 141.97 11.93 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.858 2.372 . . . . 0.0 112.134 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.07 -19.3 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -47.36 -21.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.586 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.92 -61.58 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -46.51 -42.52 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -59.83 -43.76 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -56.55 177.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.62 -65.95 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -61.17 -41.5 96.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.4 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.65 -43.03 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -67.49 -60.44 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -58.43 -18.67 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.22 -55.51 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.445 HG21 ' N ' ' A' ' 91' ' ' ASP . 7.8 tt -52.56 -33.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' N ' HG21 ' A' ' 90' ' ' ILE . 84.3 m-20 -60.57 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.85 -40.94 99.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' C ' ' H ' ' A' ' 95' ' ' VAL . 61.7 tttt -65.94 -15.35 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.25 -1.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.627 ' H ' ' C ' ' A' ' 93' ' ' LYS . 5.4 t -42.1 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.588 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER 165.63 60.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 178.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.588 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.9 Cg_endo -90.32 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.81 2.34 . . . . 0.0 112.112 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -61.59 -18.54 59.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.545 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.83 -44.35 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 74.8 mtp -69.86 -31.96 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.24 -53.7 40.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.432 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -47.06 -22.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.53 -53.51 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -36.62 72.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.7 -49.45 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 17.7 m -63.88 -40.45 96.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -138.21 84.88 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.44 153.37 27.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.4 tt -64.72 -31.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.3 mt -101.77 127.02 48.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.441 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 44.4 pttt -175.81 -179.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.587 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.9 t -60.87 -44.01 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.91 -39.55 92.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.404 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 78.6 p -63.38 161.54 13.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.11 -43.83 97.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.2 p -100.46 118.2 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 111' ' ' LYS . 4.7 m-20 -112.16 10.87 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 119' ' ' GLU . 82.2 mt -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 118' ' ' LEU . 93.5 mt-10 56.24 161.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.6 131.81 55.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -111.05 143.46 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -79.25 129.73 34.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -123.82 126.43 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.67 150.95 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.525 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.739 H121 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.6 mt-30 -50.99 -42.24 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.88 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.5 tt -50.58 -38.41 45.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.345 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -55.35 -38.29 68.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.382 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.48 -39.59 92.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.624 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 86.4 t60 -55.99 -38.25 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.099 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -65.3 -64.54 0.84 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.202 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -46.0 -48.45 16.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.24 -51.67 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.77 -41.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.329 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -66.01 -37.2 85.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.28 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -66.23 -42.48 88.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.92 -39.49 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.0 -42.37 99.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -55.32 -50.95 68.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.963 0.411 . . . . 0.0 110.633 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.19 -56.72 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.043 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.85 -36.16 80.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.63 -16.54 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 26.2 p -85.53 -3.81 58.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.289 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -93.4 1.54 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.664 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.27 0.25 89.57 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -62.64 147.81 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.402 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' VAL . 3.2 ptmt -53.53 -168.22 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.676 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.17 101.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -125.91 144.63 50.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.49 136.39 45.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.58 -41.59 13.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.534 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 24.4 t0 -54.48 -55.8 25.32 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.748 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.23 -60.65 3.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 57.7 tp -48.33 -44.5 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.71 ' HZ3' H132 ' A' ' 201' ' ' MYR . 78.1 tttt -78.71 -49.37 13.21 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.071 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 84.5 t80 -51.66 -59.13 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.605 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -52.19 66.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.709 0.29 . . . . 0.0 110.855 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 98.4 m-20 -54.44 -59.57 4.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.076 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.53 -58.86 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.452 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 50.4 t -43.64 -59.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.71 -43.55 96.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 67.4 t0 -62.15 -70.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.96 -41.66 89.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.92 81.15 34.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 111.127 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -82.99 -20.8 5.05 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 122.81 2.34 . . . . 0.0 112.432 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -117.02 -6.8 11.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.986 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 10.7 p90 -148.16 76.71 10.23 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -80.47 4.3 6.98 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.257 2.638 . . . . 0.0 112.092 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.62 -50.81 67.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.559 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -101.29 -78.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.298 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.17 104.34 0.05 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -105.6 169.82 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.534 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.8 pp -90.71 123.45 42.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -131.26 141.67 50.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mt -91.83 -37.28 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.4 -47.95 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 83.6 mtp180 -69.46 -66.88 0.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.644 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -41.6 -28.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -74.87 -45.48 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.712 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.497 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 44.0 ttm180 -64.86 -54.84 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 -178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 62.0 t -73.27 -24.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -43.03 92.23 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.2 t70 -71.18 -38.86 72.12 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.344 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 80.3 m -50.46 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -63.37 -46.13 87.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -62.78 -61.82 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.5 t0 -52.7 -21.49 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -85.42 -41.4 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.98 -40.43 96.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.266 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -71.66 -57.2 4.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 25.9 m -52.95 -16.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 77.5 t80 -85.51 3.13 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.774 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.16 71.16 0.77 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.99 159.33 30.67 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 111.996 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -101.16 1.54 39.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -126.61 26.97 6.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.615 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 12.0 p -43.98 100.8 0.23 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.284 0.564 . . . . 0.0 110.125 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.6 150.95 19.34 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.962 2.441 . . . . 0.0 112.505 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.1 -5.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.438 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 ' O ' ' OG ' ' A' ' 81' ' ' SER . 77.0 mt -52.47 -24.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -61.59 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -43.79 -46.91 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 24.7 p -59.38 -45.17 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -55.06 163.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.423 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.637 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t90 79.18 -64.69 0.23 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.45 -42.99 99.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.628 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.67 -41.23 98.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -52.53 -47.21 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.524 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -67.1 -59.37 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -54.98 -24.86 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.765 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.71 -55.39 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.333 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 6.3 tt -53.01 -35.82 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.481 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 84.9 m-20 -59.39 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.365 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.02 -33.92 53.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.493 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.703 ' NZ ' ' H82' ' A' ' 201' ' ' MYR . 5.1 mmtt -61.33 -21.71 64.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -45.68 -13.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.953 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 93' ' ' LYS . 60.7 t -46.51 -68.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.736 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.9 p30 165.79 65.34 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.218 0.532 . . . . 0.0 110.592 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -92.06 -170.38 0.31 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 123.418 2.745 . . . . 0.0 112.307 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -67.61 -24.98 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.08 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -44.54 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.502 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mtp -71.38 -33.08 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.184 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -62.32 -51.23 68.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.148 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -50.18 -16.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.978 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.3 t -98.41 -53.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.419 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.65 -12.35 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -100.39 -55.19 2.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 16.0 m -64.01 -40.53 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -136.2 93.99 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.305 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -67.19 142.77 56.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 pt -65.99 -27.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.0 mt -100.93 98.58 9.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.326 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 114' ' ' SER . 52.4 pttt -149.18 170.58 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.4 t -60.52 -44.68 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -53.82 -40.75 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.544 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 111' ' ' LYS . 32.3 m -110.37 114.44 27.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.489 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 62.39 -126.81 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.205 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -148.1 136.72 21.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.95 -34.29 77.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.552 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.2 -41.38 99.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.725 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 59.3 156.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.357 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -116.37 136.92 52.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -58.44 -46.16 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -109.38 127.55 54.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -137.92 99.4 3.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -112.15 154.89 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.542 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.474 ' CD2' ' OXT' ' A' ' 125' ' ' HIS . 76.8 t60 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.438 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.71 H132 ' HZ3' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.552 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.9 mt-30 -47.04 -38.91 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.513 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' OE1' ' A' ' 7' ' ' GLN . 69.4 mm-40 -51.85 -6.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.0 tt -54.26 -44.12 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -60.59 -40.16 90.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.423 ' OE1' ' OE2' ' A' ' 4' ' ' GLU . 77.5 mt-30 -66.56 -39.02 88.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.673 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 82.5 t60 -61.4 -39.05 89.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.36 -62.95 1.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -48.02 -44.64 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.98 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.56 -37.49 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.45 -37.43 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.9 -40.85 91.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.4 mm? -63.56 -40.21 96.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.58 -40.43 94.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.53 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -58.01 -45.8 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.79 -56.62 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -62.34 -33.84 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.82 -26.83 64.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.562 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 43.1 p -80.73 -8.3 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -87.69 2.2 51.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 0.46 87.09 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -63.22 146.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.6 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.2 ptmt -53.46 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.68 100.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.57 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -121.78 148.34 44.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -74.09 132.1 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.65 -40.94 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.9 t70 -52.97 -56.91 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.33 -59.69 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.19 -44.99 22.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HZ2' H121 ' A' ' 201' ' ' MYR . 76.1 tttt -78.24 -50.58 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 85.9 t80 -49.8 -63.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.583 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.06 -52.55 65.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -52.91 -59.89 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.46 -53.86 48.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.503 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 52.5 t -45.84 -58.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -65.2 -42.77 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' C ' ' A' ' 40' ' ' ASP . 54.7 t0 -62.13 -71.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.23 -43.92 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.99 81.62 27.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 -178.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.24 -19.78 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.808 2.338 . . . . 0.0 112.066 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.72 -1.11 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.71 68.54 19.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -77.27 1.83 8.32 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.859 2.372 . . . . 0.0 112.036 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.75 -52.89 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -121.79 -81.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.85 98.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 p -80.47 170.02 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.5 pp -87.99 130.47 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 99.9 m-20 -133.46 142.79 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.5 mt -91.02 -33.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.31 -48.16 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' ARG . 84.4 mtt85 -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ARG . 59.6 t-105 -37.91 -34.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -74.29 -42.89 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' ARG . 41.4 ttm180 -65.69 -58.6 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.34 -23.44 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.36 -46.14 65.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -69.26 -37.55 77.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 80.8 m -52.99 -67.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.2 -44.79 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -64.25 -63.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ASP . 21.9 t0 -54.36 -20.0 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.597 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -86.46 -41.67 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 84.3 t80 -62.75 -38.9 92.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.73 -57.46 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.1 m -50.52 -17.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 70' ' ' PHE . 89.5 t80 -84.15 2.82 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.96 67.87 1.99 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.444 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.5 Cg_endo -77.77 160.02 31.19 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.844 2.363 . . . . 0.0 112.115 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -100.89 1.93 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 64.9 mmtt -127.07 29.85 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.64 102.57 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 59.9 Cg_endo -82.12 143.99 13.07 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.842 2.361 . . . . 0.0 112.062 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.81 -11.15 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.67 -22.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.536 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.33 -63.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.538 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -47.54 -42.51 23.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -58.84 -45.23 90.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.6 m-85 -54.62 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.632 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 44.7 t90 64.06 -63.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 82' ' ' TYR . 44.1 m-20 -61.45 -41.04 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.49 -34.18 75.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.0 mm -56.71 -42.21 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -66.69 -61.33 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.25 -18.01 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.07 -54.15 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.4 tt -55.13 -29.13 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -64.07 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.507 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.21 -42.18 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.592 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.7 tttt -62.6 -16.97 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.73 -2.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.1 t -43.9 -69.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.632 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t30 168.77 59.56 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.632 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.7 Cg_endo -90.84 -156.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.703 2.269 . . . . 0.0 112.155 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -62.24 -20.44 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.12 -44.7 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtp -67.42 -31.7 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.47 -50.82 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -48.03 -20.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.43 -54.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.17 -37.71 75.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.11 -51.64 56.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 14.2 m -63.33 -40.79 98.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -134.39 83.74 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 110' ' ' LEU . 94.0 mt-10 -66.15 141.29 58.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.31 16.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 108' ' ' GLU . 85.7 mt -97.24 -0.92 45.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -106.2 141.62 37.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -105.75 -97.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.628 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -99.14 8.22 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 p -154.63 157.77 38.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.37 67.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.67 161.45 42.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.93 -1.24 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 120' ' ' HIS . 83.4 mt -62.54 -41.65 99.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.68 -89.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.546 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 118' ' ' LEU . 96.9 m-70 -116.08 131.9 56.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.32 147.13 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -119.79 136.89 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -119.3 128.27 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.558 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -104.39 159.62 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 75.5 m80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.613 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.673 ' H92' ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.572 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.0 mt-30 -52.68 -41.77 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.628 -179.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.59 -6.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.572 ' H ' ' C ' ' A' ' 3' ' ' GLN . 2.6 tt -52.32 -34.32 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -59.12 -41.42 88.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.73 -38.84 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.556 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.19 -36.99 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.71 -65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -46.0 -47.9 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.2 m-85 -61.4 -51.51 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.611 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -44.07 -36.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -68.06 -39.06 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.5 mt-30 -64.02 -42.49 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.38 -40.29 96.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.325 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.77 -44.64 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -56.68 -43.67 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.69 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.22 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.44 -21.68 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 62.1 p -87.67 -2.12 58.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -92.93 7.89 42.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.515 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.0 -3.03 58.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -65.85 148.53 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.609 -179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 ptmt -52.49 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.37 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -122.53 154.48 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.27 133.33 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.528 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -42.44 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 53.5 t0 -52.23 -57.49 9.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.055 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.02 -60.55 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -178.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -46.71 -45.49 19.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.694 ' HZ1' H121 ' A' ' 201' ' ' MYR . 78.0 tttt -78.52 -51.18 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 86.3 t80 -49.61 -61.94 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -52.21 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 61.2 t0 -52.41 -59.55 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -178.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -62.95 -55.4 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -178.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 41.8 t -42.92 -62.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 -179.187 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -63.33 -46.55 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.555 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 63.2 t0 -57.56 -71.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.69 -43.16 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.99 80.02 25.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 -179.267 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.01 -20.03 6.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.818 2.345 . . . . 0.0 112.102 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -120.41 -10.56 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -139.46 73.55 35.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 -178.753 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.14 3.04 7.97 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.805 2.337 . . . . 0.0 112.162 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.61 -51.53 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -101.41 -77.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.99 114.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.6 p -126.93 161.78 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.621 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.8 pp -80.49 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.572 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -135.39 141.2 45.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.71 -39.45 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -178.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.05 -47.74 70.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.7 mtt180 -68.03 -67.31 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 72.2 t-105 -38.48 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.602 179.11 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.9 ttt-85 -72.0 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 60.2 ttp180 -67.5 -56.5 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.509 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.08 -26.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.72 83.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.1 t70 -68.05 -38.82 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 0.0 110.569 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 72.4 m -51.56 -68.15 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.506 -179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.94 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.76 -62.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.7 t0 -51.34 -23.01 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.566 -179.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.13 -45.33 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.86 -43.13 90.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -71.11 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.565 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -51.43 -17.47 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.535 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 85.0 t80 -84.55 2.22 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.28 73.88 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -79.26 161.35 25.99 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.784 2.323 . . . . 0.0 112.138 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -102.62 -3.13 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 64.9 mmtt -125.22 33.62 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.333 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.6 p -44.72 101.86 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 58.8 Cg_endo -83.4 148.1 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.8 2.333 . . . . 0.0 112.151 -178.384 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 p -76.26 -15.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.414 ' O ' ' OG ' ' A' ' 81' ' ' SER . 71.0 mt -45.93 -22.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -43.06 -44.05 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 7.1 p -61.52 -43.22 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CD2' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -58.08 163.97 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.68 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.734 ' N ' ' CD2' ' A' ' 82' ' ' TYR . 1.5 t90 79.47 -68.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.12 -41.25 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.3 mm -54.34 -44.71 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.551 -178.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -66.34 -61.02 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.582 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -55.73 -22.83 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.55 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.1 -57.25 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.516 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.6 tt -53.55 -30.41 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -63.9 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.564 -179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -58.83 -42.16 88.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.7 tttt -60.22 -17.98 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -54.62 -6.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 93' ' ' LYS . 98.4 t -41.0 -67.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -178.578 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.599 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 164.86 60.9 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 178.653 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.599 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.75 -160.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.86 2.373 . . . . 0.0 112.139 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -62.97 -21.12 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.49 -44.42 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.1 mmm -69.77 -29.55 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.75 -49.37 59.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -48.24 -17.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.7 t -91.86 -53.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.63 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -73.13 -57.92 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 16.9 m -61.28 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.516 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -131.39 85.23 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.78 165.1 11.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.4 pt -91.57 -6.5 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.78 -41.75 97.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' SER . 50.0 pttt -61.34 -28.27 69.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.719 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.69 -142.32 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.32 -37.09 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 111' ' ' LYS . 3.8 p -91.63 -179.87 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -86.94 -13.43 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.542 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 m -120.24 140.03 51.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -68.26 -34.66 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -62.41 -38.97 91.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -178.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 118' ' ' LEU . 94.7 mt-10 55.2 155.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -118.14 135.92 53.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.32 146.6 51.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -112.17 141.84 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -134.73 113.08 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -113.9 150.6 33.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.541 179.826 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.694 H121 ' HZ1' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 5' ' ' LEU . 90.1 mt-30 -48.65 -41.88 32.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.583 -179.496 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -42.56 -16.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.3 tt -51.14 -40.72 59.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -61.15 -36.28 79.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.72 -41.95 74.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.647 ' CD2' ' H92' ' A' ' 201' ' ' MYR . 11.8 t-160 -57.75 -36.98 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.5 -64.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -49.13 -46.3 44.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.287 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.3 m-85 -61.55 -53.79 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.52 -37.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.9 -37.25 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.6 mt-30 -65.83 -41.92 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.66 -40.22 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.49 -41.32 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -56.24 -47.67 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.57 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.98 -34.66 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.324 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -59.53 -22.57 61.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 p -80.04 -5.44 55.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -91.85 -2.11 57.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.16 1.21 90.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -61.7 147.14 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.378 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.2 ptmt -53.29 -167.68 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.7 t -104.91 100.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.573 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -120.61 149.24 42.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -76.68 132.25 39.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.83 -42.03 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.144 0.497 . . . . 0.0 110.975 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.9 t0 -53.1 -56.34 16.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.945 -178.167 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.05 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -178.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 47.0 tp -46.46 -44.84 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.692 ' NZ ' H121 ' A' ' 201' ' ' MYR . 74.3 tttt -79.29 -49.19 12.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.398 -178.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 84.6 t80 -53.09 -56.4 16.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.728 -178.63 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.77 -54.54 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 99.3 m-20 -51.45 -56.65 12.1 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -178.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.83 -52.83 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 42' ' ' CYS . 29.0 t -49.3 -58.86 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -66.09 -44.8 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 65.8 t0 -60.29 -69.84 0.2 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.95 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.02 -42.02 93.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.274 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -122.97 80.07 50.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 -179.421 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -81.03 -19.01 8.52 Favored 'Trans proline' 0 C--N 1.303 -1.859 0 C-N-CA 122.836 2.357 . . . . 0.0 112.163 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -120.16 -2.31 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 65.4 m-85 -146.34 73.11 13.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.722 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.2 3.17 6.92 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.977 2.452 . . . . 0.0 112.348 -179.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -119.83 -79.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.31 92.28 0.05 OUTLIER Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 p -84.16 163.73 19.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 110.525 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG22 H143 ' A' ' 201' ' ' MYR . 1.7 pp -78.4 126.74 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -129.24 141.73 51.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.41 -36.8 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.92 -48.96 69.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' ARG . 96.0 mtt-85 -69.74 -66.85 0.54 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 65.6 t-105 -39.77 -33.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.128 -179.114 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.521 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 76.6 ttt180 -75.26 -43.47 51.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.0 ttm-85 -64.58 -58.4 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.24 -22.38 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -43.65 70.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.2 t70 -71.37 -39.51 71.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.888 0.375 . . . . 0.0 110.686 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -51.36 -66.22 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.7 -46.75 86.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -62.23 -63.09 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' ASP . 31.1 t0 -53.99 -20.3 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -85.54 -41.92 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.78 -38.64 91.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -73.0 -54.71 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 26.2 m -50.41 -18.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 89.2 t80 -85.11 3.25 39.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.42 67.25 2.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.69 161.7 33.52 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.828 2.352 . . . . 0.0 112.324 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -102.31 3.5 38.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 179.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 8.8 mptt -126.2 26.1 6.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.732 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 13.2 p -46.43 103.24 0.34 Allowed Pre-proline 0 N--CA 1.455 -0.211 0 CA-C-O 121.3 0.572 . . . . 0.0 110.452 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 67.1 Cg_endo -80.86 149.43 17.97 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.748 2.298 . . . . 0.0 112.51 -179.025 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.3 p -79.98 -13.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.477 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' O ' ' OG ' ' A' ' 81' ' ' SER . 60.8 mt -50.43 -23.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -178.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -62.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -178.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -48.81 -44.4 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.532 -179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 71.3 p -59.56 -39.64 84.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.653 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.6 OUTLIER -60.41 -176.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.54 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.521 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 54.2 t90 63.16 -63.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.9 m120 -60.94 -42.71 98.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.39 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.53 -35.57 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.648 179.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.46 -41.49 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.28 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -68.14 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -58.62 -19.31 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.395 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD13 ' HZ3' ' A' ' 33' ' ' LYS . 6.3 mt -69.93 -55.26 10.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 91' ' ' ASP . 10.4 tt -54.06 -34.34 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.496 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 90' ' ' ILE . 94.5 m-20 -59.44 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.33 -41.47 93.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.478 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.704 ' HZ1' H102 ' A' ' 201' ' ' MYR . 80.0 tttt -64.59 -15.13 60.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -54.15 -4.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 93' ' ' LYS . 47.9 t -43.69 -70.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.978 -177.488 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.635 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 t30 170.94 58.9 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.635 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.2 Cg_endo -91.0 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.85 0 C-N-CA 122.694 2.262 . . . . 0.0 112.0 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.91 -26.1 67.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -43.9 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.41 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.7 -34.26 75.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.524 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -51.95 60.5 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.6 -19.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.9 t -92.3 -52.8 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.262 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.42 68.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -82.29 -57.28 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.67 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.0 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.496 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -118.07 79.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' A' ' 110' ' ' LEU . 97.4 mt-10 -66.51 140.72 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.5 pt -70.98 17.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' A' ' 108' ' ' GLU . 90.6 mt -100.66 12.19 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.629 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -118.22 153.59 33.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.5 m -106.43 -131.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.1 p -161.95 6.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.525 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -127.54 -172.26 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.578 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 p -77.14 159.64 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.485 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 110' ' ' LEU . 12.8 m-20 -65.08 -34.34 78.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.28 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.25 -41.02 99.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 58.89 20.17 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -65.87 -40.8 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.726 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -55.0 -38.67 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -178.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -109.49 170.24 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -140.32 93.26 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -113.3 133.55 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 179.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.596 179.814 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.704 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.43 ' O ' ' O1 ' ' A' ' 201' ' ' MYR . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' LEU . 93.3 mm-40 -45.03 -38.53 4.93 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -42.1 -17.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.011 0.434 . . . . 0.0 110.405 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.9 tt -57.57 -42.2 82.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.471 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -60.0 -44.1 94.75 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.364 0.602 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.106 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.751 ' ND1' H111 ' A' ' 201' ' ' MYR . 7.6 t60 -58.36 -42.47 87.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 109.977 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -50.45 -58.94 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -51.31 -43.77 61.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.579 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.28 -51.19 70.36 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.356 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.0 -37.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.65 -43.97 65.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -65.61 -39.77 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.221 0.534 . . . . 0.0 110.822 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.58 -40.47 97.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.107 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.68 -37.12 85.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.135 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.25 -44.9 94.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.43 58.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -65.39 -27.07 68.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.95 -27.78 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.539 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.2 p -83.01 -4.77 58.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 24' ' ' VAL . 97.0 mtt-85 -89.62 7.23 37.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.559 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 66.29 -5.13 2.27 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 24' ' ' VAL . 9.2 p -63.36 61.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' GLY . 16.3 ptmt 35.19 -161.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.452 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -112.29 101.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.525 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -115.42 148.45 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.41 135.04 35.64 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.637 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.84 -32.24 19.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.327 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 31.9 t0 -52.6 -60.15 3.6 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -177.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.97 -61.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.574 0.546 . . . . 0.0 111.844 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.9 tp -44.76 -49.71 10.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.543 ' HZ2' H121 ' A' ' 201' ' ' MYR . 67.9 tttt -72.67 -46.58 53.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 2.6 m-85 -50.06 -65.16 0.61 Allowed 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.358 -178.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.46 -57.16 11.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.642 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.41 -61.41 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.683 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.81 -53.68 54.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 41.6 t -43.05 -53.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.263 0.554 . . . . 0.0 110.55 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -66.81 -35.57 80.37 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.081 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 26.0 t0 -65.39 -68.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.422 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -84.28 15.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 0.0 110.803 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' SG ' ' C ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -165.98 64.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.896 0.855 . . . . 0.0 111.283 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.88 -35.61 1.37 Allowed 'Trans proline' 0 C--N 1.299 -2.047 0 C-N-CA 122.108 1.872 . . . . 0.0 112.82 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.87 -2.55 8.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -141.15 72.91 26.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.949 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -76.1 4.95 4.86 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 123.674 2.916 . . . . 0.0 112.217 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -64.48 -49.85 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.397 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.96 -83.99 0.54 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.54 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.69 109.88 0.14 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 p -112.04 163.64 14.05 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.959 0.409 . . . . 0.0 110.59 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -84.05 125.57 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -139.0 140.93 38.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.241 179.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.8 mt -94.05 -40.74 11.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.59 -45.02 84.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 57' ' ' ARG . 94.8 mtt-85 -71.63 -65.86 0.7 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.057 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CD1' ' OD2' ' A' ' 40' ' ' ASP . 80.8 t90 -43.45 -25.44 0.15 Allowed 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 55' ' ' ARG . 42.3 ttm180 -75.34 -47.7 26.47 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -61.23 -50.38 73.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.703 -179.18 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -77.04 -21.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.56 55.18 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.0 t70 -71.4 -43.16 67.35 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.515 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 83.5 m -49.76 -64.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.5 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.68 -47.9 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -63.98 -61.13 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -178.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.0 t0 -52.91 -36.19 59.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.15 -43.1 75.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -66.1 -38.75 89.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.901 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.73 -61.11 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 27.8 m -44.99 -29.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.327 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.27 -51.83 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.409 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.09 69.57 0.33 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.0 Cg_endo -79.67 163.3 24.0 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.086 2.524 . . . . 0.0 112.482 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -100.37 1.61 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.498 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -126.57 26.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.2 p -43.93 100.54 0.23 Allowed Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 123.797 0.685 . . . . 0.0 110.133 -178.198 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -82.17 151.87 16.05 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.838 2.359 . . . . 0.0 112.486 -179.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.84 -17.88 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 83.6 mt -48.41 -22.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.436 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -53.29 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.362 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -46.99 -50.04 19.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -64.33 -21.93 66.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.661 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 83' ' ' TRP . 1.7 m-85 -87.03 85.95 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 160.81 -62.01 0.0 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 71.9 m-20 -60.84 -38.66 86.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.513 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.92 -37.83 88.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.609 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -53.83 -50.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -59.79 -53.45 57.79 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -60.21 -21.59 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.16 -58.63 6.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -178.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.44 -34.33 34.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -59.19 -65.7 0.63 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.455 -178.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.06 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.522 ' HZ2' ' H91' ' A' ' 201' ' ' MYR . 84.1 tttt -60.51 -11.88 8.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.257 0.551 . . . . 0.0 110.369 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -59.64 -6.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -43.7 -67.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.102 -177.43 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.513 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.7 p30 167.75 60.95 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 111.091 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -90.85 -157.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.157 2.571 . . . . 0.0 111.934 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.34 -25.92 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.958 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.996 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.88 -32.81 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.299 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.23 68.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -50.05 -19.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.073 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t -89.02 -52.83 10.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.082 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.76 88.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.44 -54.65 25.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 18.3 m -61.02 -41.35 96.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.449 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.548 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 79.7 mm-40 -132.24 86.44 2.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.3 171.43 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 pt -93.05 -3.0 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.84 -41.02 96.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.548 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 63.3 pttt -59.57 -35.94 75.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.484 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.53 -152.67 0.16 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 p -172.44 10.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.14 163.11 23.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.742 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.5 p -81.92 160.8 23.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -64.05 -36.96 85.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.7 mt -62.7 -37.79 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 118' ' ' LEU . 95.1 mt-10 56.82 112.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.69 140.84 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -107.24 120.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -101.36 134.73 43.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.391 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.54 112.39 9.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 125' ' ' HIS . 14.6 m-70 -112.14 157.25 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.447 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 124' ' ' HIS . 41.7 m80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.89 -1.053 . . . . 0.0 110.763 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.751 H111 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' LEU . 95.5 mm-40 -51.01 -42.34 60.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -41.54 -19.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.485 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.1 tt -54.78 -44.58 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.539 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -60.98 -41.49 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.96 -40.46 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.72 -44.69 86.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -53.66 -61.21 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -48.79 -44.98 39.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -61.31 -52.65 63.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.47 -34.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.52 -37.9 71.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.4 mt-30 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.4 mm? -63.9 -39.7 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.02 -40.78 98.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -56.89 -48.36 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 -179.133 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -57.57 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -64.45 -32.17 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.582 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -61.12 -17.85 54.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 31.3 p -86.31 -2.61 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -92.0 6.43 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.32 83.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.37 146.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.542 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.54 -164.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -103.32 97.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 28' ' ' TYR . 68.1 tttt -116.4 167.23 11.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.607 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.8 m-85 -97.67 131.44 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.625 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.69 -35.69 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.1 t0 -51.29 -57.58 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.93 -62.95 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.7 mt -46.16 -47.59 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 -179.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.67 -48.37 22.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 77.3 t80 -51.88 -55.49 19.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 -178.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.85 -56.62 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -59.6 -63.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.079 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.78 -25.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -178.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.531 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 25.0 t -86.11 -63.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -177.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -63.85 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 61.1 t0 -54.59 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -178.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.29 -43.08 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.03 80.66 18.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 -178.384 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -79.39 -21.78 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.829 2.353 . . . . 0.0 112.104 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -125.09 0.24 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -142.13 67.05 21.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.81 -2.01 12.2 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.853 2.369 . . . . 0.0 112.138 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -63.25 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -105.23 -81.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.75 104.23 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 p -101.06 168.87 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.19 124.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -136.55 141.18 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.1 -34.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.3 -44.79 74.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.551 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 92.1 mtt-85 -69.52 -68.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' C ' ' CD1' ' A' ' 56' ' ' TRP . 8.3 t-105 -41.12 -27.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.572 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ARG . 73.8 ttt-85 -73.64 -47.29 41.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 61.4 ttp180 -64.78 -53.78 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.665 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.42 -24.37 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.49 92.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.4 t70 -72.92 -35.96 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.048 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 80.7 m -52.81 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.13 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -63.75 -42.54 97.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.515 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.58 -61.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.619 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.3 t0 -53.77 -21.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -86.37 -40.72 15.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 64.7 t80 -63.71 -39.37 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.89 -59.26 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -52.16 -16.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 74.3 t80 -87.09 5.35 38.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.44 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.0 Cg_endo -79.6 160.49 25.16 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.831 2.354 . . . . 0.0 112.132 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -99.26 -2.98 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.4 mmtt -125.82 31.3 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 8.5 p -43.26 100.4 0.22 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.1 Cg_endo -82.35 144.41 12.95 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.835 2.357 . . . . 0.0 112.139 -178.254 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 79' ' ' ALA . 13.3 p -74.53 -23.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.595 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.76 -20.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.62 -62.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -47.0 -43.36 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -57.14 -44.21 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -179.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 68.53 -72.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 -179.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -60.62 -39.31 87.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.54 -43.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -67.35 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.615 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.36 -17.63 8.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.32 -53.67 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 91' ' ' ASP . 6.5 tt -54.68 -32.21 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 90' ' ' ILE . 92.7 m-20 -62.6 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -57.72 -39.58 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.788 ' HZ3' H141 ' A' ' 201' ' ' MYR . 80.9 tttt -67.81 -16.16 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -55.46 -5.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.539 ' H ' ' C ' ' A' ' 93' ' ' LYS . 61.3 t -40.77 -68.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 -178.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.614 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.3 p30 165.58 60.15 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 178.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.5 Cg_endo -89.45 -159.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.874 2.383 . . . . 0.0 112.094 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.9 -23.44 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 178.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.09 -43.73 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.3 ttp -67.45 -35.13 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -47.18 -20.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' ALA . 5.2 t -93.42 -53.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.33 -24.1 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 178.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -87.62 -56.22 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.607 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 19.0 m -62.34 -42.92 99.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.15 84.98 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.66 155.16 34.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.28 -40.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.2 mt -93.76 115.95 28.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -164.52 -155.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -60.93 -45.17 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -63.28 -35.22 79.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.62 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.5 p -73.05 153.56 40.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.37 -39.87 92.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.1 p -105.16 112.48 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -112.82 -6.37 13.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 96.9 mt -63.23 -40.42 97.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 55.35 44.7 26.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 118' ' ' LEU . 85.3 m-70 -134.18 137.67 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -70.03 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.31 129.61 45.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -111.11 122.47 47.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -107.8 142.09 38.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.585 -179.901 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.788 H141 ' HZ3' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' A' ' 5' ' ' LEU . 83.4 mt-30 -45.1 -50.04 11.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.608 -179.627 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.562 ' OE2' ' H22' ' A' ' 201' ' ' MYR . 50.9 mp0 -40.78 -15.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 179.161 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 3' ' ' GLN . 4.3 tt -59.57 -43.43 93.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.544 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -55.24 -44.13 75.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.572 178.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.03 -39.9 90.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 178.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.799 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 82.6 t60 -59.32 -33.22 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.11 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.598 ' NH2' ' NE2' ' A' ' 14' ' ' GLN . 78.0 ttt-85 -53.38 -47.61 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -60.64 -53.48 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -43.01 -35.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -72.31 -32.32 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 -178.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.598 ' NE2' ' NH2' ' A' ' 10' ' ' ARG . 86.0 mt-30 -70.57 -43.3 69.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.68 -41.03 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -62.53 -39.0 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.19 -42.33 99.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.552 -179.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.7 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.35 -25.91 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -66.35 -30.46 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.6 p -75.44 -4.13 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -92.76 5.03 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.526 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -2.78 53.12 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.2 p -66.41 151.21 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.578 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.1 ptmt -52.24 -167.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.77 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -124.06 148.97 46.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -71.26 134.26 46.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.14 11.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 29.6 t0 -47.31 -49.3 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.196 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.98 -60.95 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -178.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 45.2 tp -45.3 -47.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 15.0 mmtt -76.96 -50.09 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 56.8 t80 -47.63 -64.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.016 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.4 t80 -57.49 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -178.166 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 m-20 -49.51 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -177.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 m-85 -64.52 -50.72 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 -177.488 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 50.5 t -48.4 -60.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -178.642 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -65.99 -40.91 91.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -178.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 47.9 t0 -64.72 -70.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -177.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.38 -42.75 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.82 78.78 23.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -178.663 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -78.28 -22.77 9.4 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.827 2.351 . . . . 0.0 112.098 178.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -123.44 2.4 9.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -144.79 68.18 14.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.92 0.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.797 2.332 . . . . 0.0 112.109 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.1 -51.38 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -103.97 -78.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.83 115.12 0.04 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 p -117.25 166.4 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.535 179.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.541 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.6 pp -86.43 127.14 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 -179.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -134.48 140.63 46.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -95.74 -39.72 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.19 -48.7 67.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.4 mtp180 -67.9 -68.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 69.9 t90 -38.47 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.599 HH12 ' HE1' ' A' ' 83' ' ' TRP . 56.2 ttm-85 -74.37 -46.2 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttt85 -63.39 -53.9 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.8 t -72.37 -20.79 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.09 -47.88 35.3 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 65' ' ' ASP . 17.0 t70 -66.59 -40.18 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.596 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.8 m -52.09 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.1 -46.43 89.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.591 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.67 -63.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -178.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.0 t0 -49.66 -23.99 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 179.828 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -86.97 -35.37 18.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -67.61 -43.68 79.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.532 ' CG ' ' H ' ' A' ' 69' ' ' THR . 24.9 p-10 -72.41 -58.54 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.532 ' H ' ' CG ' ' A' ' 68' ' ' ASN . 44.7 m -48.01 -18.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 84.1 t80 -84.58 4.85 30.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 51.98 71.21 0.7 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.47 161.2 31.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.742 2.294 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -103.04 -1.9 28.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 65.9 mmtt -121.2 29.91 7.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.148 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.3 p -44.41 101.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -178.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 58.1 Cg_endo -83.14 144.49 11.85 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.743 2.295 . . . . 0.0 112.07 -178.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.71 -16.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.45 -20.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 -179.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.539 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -44.32 -43.8 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 179.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 m -59.37 -44.4 92.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -53.65 177.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.096 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' HE1' HH12 ' A' ' 57' ' ' ARG . 51.5 t90 64.97 -63.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.535 ' OD1' ' CZ3' ' A' ' 83' ' ' TRP . 41.2 m-20 -59.99 -43.16 95.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.35 -37.4 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 86' ' ' ILE . 22.6 mm -55.11 -44.79 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -178.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -62.03 -58.89 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.547 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.91 -19.22 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -59.01 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -52.17 -35.75 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.028 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 90' ' ' ILE . 78.3 m-20 -57.44 -64.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.09 -36.96 71.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.77 ' NZ ' ' H82' ' A' ' 201' ' ' MYR . 6.1 mttp -64.92 -12.06 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -48.42 -7.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 93' ' ' LYS . 15.5 t -52.89 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 5.9 t30 163.59 68.58 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.2 Cg_endo -90.24 -163.74 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.854 2.369 . . . . 0.0 112.067 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.5 -27.8 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.52 -44.74 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 36.5 ttp -67.67 -31.09 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -68.69 -49.19 60.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -48.53 -13.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.599 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t -98.09 -52.97 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.841 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.55 10.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.478 ' H ' ' C ' ' A' ' 103' ' ' VAL . 57.5 tt0 -126.61 -47.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.559 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 55.2 m -66.36 -19.1 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 59.18 50.95 7.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 110' ' ' LEU . 96.7 mt-10 -53.64 -20.29 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 109' ' ' ILE . 8.3 tp -40.83 82.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.517 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.693 ' N ' ' O ' ' A' ' 108' ' ' GLU . 9.0 mp 35.37 75.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.487 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.52 ' HG2' ' H ' ' A' ' 114' ' ' SER . 83.8 tttt -146.56 98.63 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.039 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.46 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 18.3 t -66.95 -40.98 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.614 178.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -46.44 -38.0 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.52 ' H ' ' HG2' ' A' ' 111' ' ' LYS . 5.9 m -81.77 -18.99 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 112' ' ' SER . 53.9 tt0 -173.83 -94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.16 136.38 18.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 179.053 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 112' ' ' SER . 55.8 m-20 -67.34 -33.82 76.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 120' ' ' HIS . 36.3 mt -62.39 -39.96 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 56.09 7.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 118' ' ' LEU . 46.9 m80 -144.86 138.01 26.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.517 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -65.93 -43.92 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -120.57 145.78 47.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -86.76 123.13 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -106.43 146.62 30.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.543 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.555 -179.758 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.799 ' H92' ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.556 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.5 mt-30 -50.98 -42.59 60.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 98' ' ' GLN . 94.6 mt-10 -45.43 -12.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -48.64 -34.43 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.804 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -61.12 -40.55 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -64.41 -38.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.744 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 86.2 t60 -57.65 -40.77 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.61 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -47.51 -50.11 24.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -59.31 -54.31 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.27 -38.77 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.95 -36.77 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -66.0 -41.22 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.551 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -63.87 -39.45 94.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.562 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -62.08 -42.74 99.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -55.01 -51.99 64.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -53.85 -57.06 12.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 -179.552 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.39 -35.14 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.05 -15.17 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 30.5 p -86.75 -2.63 58.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -95.91 1.55 53.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.32 2.66 90.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.9 p -64.05 144.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.7 ptmt -52.08 -165.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.17 103.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -124.62 153.27 42.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -77.49 131.19 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -41.8 12.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -54.14 -57.72 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.28 -62.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.49 -44.29 25.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -178.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' NZ ' H121 ' A' ' 201' ' ' MYR . 81.3 tttt -78.68 -52.63 8.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -178.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 91.2 t80 -52.43 -54.52 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' ' CE ' ' A' ' 39' ' ' LYS . 5.8 t80 -60.65 -57.98 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -178.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -51.32 -57.09 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -178.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.01 -56.62 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -178.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 44.9 t -44.05 -51.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CE ' ' CZ ' ' A' ' 35' ' ' PHE . 38.0 mttm -66.49 -44.68 81.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' OD2' ' A' ' 40' ' ' ASP . 60.8 t0 -62.57 -71.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -178.168 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.23 -44.01 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -122.03 81.01 43.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 -178.744 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -81.65 -22.72 5.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 0.0 112.174 179.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.29 -3.35 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -145.45 75.05 13.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.535 -179.302 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -79.83 3.25 7.73 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -61.53 -52.4 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -121.74 -82.67 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.2 103.58 0.03 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 178.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 p -86.57 165.96 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.559 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.56 131.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 143.06 44.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.7 mt -94.03 -34.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.86 -47.67 68.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.514 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.6 mtp180 -68.76 -68.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 -179.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.5 t90 -38.89 -27.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.785 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -73.93 -46.22 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 76.4 ttt-85 -64.97 -52.95 53.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.169 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.3 -24.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -43.46 78.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' ASP . 5.1 t70 -73.11 -40.37 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.567 -179.006 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.9 m -50.01 -66.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.139 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -64.6 -47.09 79.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 82' ' ' TYR . 52.8 tt0 -63.55 -61.82 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -178.138 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASP . 23.8 t0 -55.26 -26.89 42.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -80.91 -46.04 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -64.6 -40.1 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -76.33 -62.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 -178.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 88.9 m -43.69 -29.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.42 -55.12 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.73 68.65 0.26 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.532 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.3 Cg_endo -77.36 164.54 28.75 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.843 2.362 . . . . 0.0 112.094 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -101.41 -1.13 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.6 mmtt -123.34 25.88 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 12.7 p -44.4 102.65 0.3 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.9 Cg_endo -82.53 150.59 14.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.797 2.332 . . . . 0.0 112.075 -179.085 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.55 -25.99 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.561 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.412 ' O ' ' OG ' ' A' ' 81' ' ' SER . 80.8 mt -45.16 -28.4 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.577 ' O ' ' CD1' ' A' ' 82' ' ' TYR . . . -48.86 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' A' ' 82' ' ' TYR . 55.1 m-85 -46.35 -39.08 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 4.7 p -65.15 2.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.18 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -90.51 171.31 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.549 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.785 ' HE1' HH12 ' A' ' 57' ' ' ARG . 90.9 t90 65.88 -54.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' TYR . 35.7 t30 -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.487 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.5 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 -179.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -68.34 -60.72 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.14 -20.49 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.98 -54.95 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 91' ' ' ASP . 7.6 tt -54.81 -32.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.765 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 90' ' ' ILE . 88.2 m-20 -62.38 -65.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.52 -42.08 91.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.579 179.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.612 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.2 tttt -64.65 -15.9 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -52.36 -4.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.612 ' H ' ' C ' ' A' ' 93' ' ' LYS . 13.4 t -41.7 -68.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.5 p30 163.88 60.7 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 178.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.03 -156.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.833 2.355 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.528 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 53.8 tp60 -61.0 -23.12 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.527 179.221 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.58 -44.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.79 -33.97 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.55 -51.13 59.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.57 -19.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 t -92.22 -53.47 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 179.347 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.75 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 178.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -83.31 -56.05 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.6 m -63.44 -42.62 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -117.4 75.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 110' ' ' LEU . 97.5 mt-10 -64.19 153.48 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.5 pt -72.86 9.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 108' ' ' GLU . 61.9 mt -115.01 81.26 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 114' ' ' SER . 55.3 pttt -153.2 168.71 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.598 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.6 t -62.22 -43.82 97.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.59 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -53.21 -39.9 64.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 111' ' ' LYS . 4.5 t -107.1 121.02 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 54.69 -122.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.9 p -142.49 154.91 44.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -77.06 -19.53 56.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 -179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.38 -36.33 83.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 59.15 95.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.85 -43.19 96.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.92 150.86 33.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -118.21 138.91 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -121.88 128.68 51.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.572 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -110.1 143.28 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.506 179.992 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.744 ' H92' ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.627 ' C ' ' H ' ' A' ' 5' ' ' LEU . 88.3 mt-30 -48.54 -45.53 37.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -48.47 -6.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.627 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.7 tt -60.02 -41.55 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.313 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -55.03 -45.54 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.06 -40.67 98.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.466 ' NE2' ' CG2' ' A' ' 12' ' ' VAL . 76.7 t60 -58.21 -40.88 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.261 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -51.95 -58.66 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -52.01 -43.1 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.6 m-85 -63.5 -51.95 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' NE2' ' A' ' 8' ' ' HIS . 2.1 t -43.79 -35.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.547 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -72.14 -34.42 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.1 mt-30 -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.605 -179.572 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.58 -41.96 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.429 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.93 -38.36 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.91 -45.7 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.008 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -57.6 -60.07 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.351 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HA ' HH21 ' A' ' 22' ' ' ARG . 63.9 mt -55.16 -25.55 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.367 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -66.23 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 70.6 p -70.22 -15.05 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' ' 19' ' ' LEU . 81.0 mtt85 -82.0 3.83 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.459 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 -0.47 63.25 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.496 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p -64.92 150.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.675 0.274 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.5 ptmt -51.34 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -107.09 101.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -122.6 160.55 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -84.17 135.14 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.27 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.5 t70 -52.41 -55.98 18.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.52 -61.04 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 -178.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -45.6 -46.63 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HZ3' H121 ' A' ' 201' ' ' MYR . 75.6 tttt -78.21 -49.89 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.479 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 75.4 t80 -47.5 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 -179.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.446 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.7 t80 -57.43 -51.9 67.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -178.285 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.3 t0 -52.76 -60.59 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 -177.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.11 -57.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' CYS . 53.5 t -43.05 -59.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.14 -44.52 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -178.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 63.3 t0 -60.78 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.39 -44.51 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 -179.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -119.86 80.88 25.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.297 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.3 -20.9 9.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.786 2.324 . . . . 0.0 112.118 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -124.69 -3.15 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.551 -178.511 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.524 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 47.6 m-85 -138.37 62.22 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.82 3.05 3.52 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.849 2.366 . . . . 0.0 112.086 -179.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.39 -48.76 76.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -115.96 -82.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.25 94.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -86.66 170.73 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.6 pp -90.65 129.1 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 95.2 m-20 -138.03 141.43 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.7 mt -90.67 -39.44 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.03 -45.71 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' ARG . 31.8 ttp180 -69.28 -67.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.533 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 50.6 t-105 -38.56 -30.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' ARG . 59.1 ttp180 -72.04 -46.36 57.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 62.1 ttm-85 -62.43 -59.41 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.01 -21.92 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -48.63 32.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.7 t70 -69.4 -42.57 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.562 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.7 m -50.17 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.608 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.18 -44.69 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.76 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.5 t0 -49.75 -36.67 26.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.115 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -73.29 -44.58 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.649 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.93 -42.3 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.86 -63.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 30.4 m -43.91 -28.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.64 -55.58 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.02 70.66 0.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -79.48 162.02 25.07 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.86 2.374 . . . . 0.0 112.17 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -101.78 -3.26 28.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 65.6 mmtt -123.44 29.88 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.1 p -42.7 101.43 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.3 Cg_endo -81.67 148.51 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.744 2.296 . . . . 0.0 112.154 -178.429 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.59 -14.51 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.475 ' O ' ' OG ' ' A' ' 81' ' ' SER . 82.4 mt -49.08 -21.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.513 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 82.2 p -64.99 -42.13 94.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.688 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -53.09 169.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.279 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.688 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 67.97 -59.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.486 -179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 64.8 m-20 -61.08 -43.26 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.9 -37.27 84.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -52.92 -45.32 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -66.56 -57.22 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -58.76 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.56 -58.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -54.18 -31.69 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 90' ' ' ILE . 89.4 m-20 -60.74 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.443 ' C ' ' HH ' ' A' ' 11' ' ' TYR . 67.4 mmtt -60.54 -40.82 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.659 ' NZ ' H101 ' A' ' 201' ' ' MYR . 82.3 tttt -62.94 -14.53 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -57.91 -3.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.54 ' H ' ' C ' ' A' ' 93' ' ' LYS . 11.0 t -45.41 -70.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -178.211 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.595 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 17.4 t30 169.44 61.17 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.52 -156.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.842 2.361 . . . . 0.0 112.132 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.49 -20.6 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.12 -44.88 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -70.62 -28.01 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.01 -46.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.29 -15.05 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 12.0 t -93.95 -53.86 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -27.58 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -83.99 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.84 83.86 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.529 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.01 151.19 47.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.1 tt -59.96 -27.76 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.05 112.4 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.622 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -158.89 161.71 36.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 114' ' ' SER . 38.2 t -63.09 -41.43 99.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -39.91 -38.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' GLN . 16.0 p -75.76 161.73 28.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' SER . 78.0 mt-30 -36.48 -66.14 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.628 ' HG1' ' H ' ' A' ' 119' ' ' GLU . 72.6 p -130.35 157.4 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.547 179.322 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -67.27 -38.52 85.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 96.1 mt -66.68 -40.33 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 -179.734 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.628 ' H ' ' HG1' ' A' ' 116' ' ' THR . 86.5 mt-10 56.79 24.62 9.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 118' ' ' LEU . 78.4 m-70 -115.85 128.01 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.82 -41.93 95.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.517 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -110.73 136.95 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -139.87 95.03 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -111.6 145.49 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.544 179.932 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.659 H101 ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 5' ' ' LEU . 90.5 mt-30 -43.23 -47.0 6.37 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.461 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 4' ' ' GLU . 57.3 mp0 -41.61 -15.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.358 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.6 tt -59.34 -44.06 92.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.194 179.209 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -55.07 -45.73 75.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.117 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -64.73 -42.45 95.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.48 179.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -53.14 -36.1 60.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.1 -63.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.372 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -52.09 -45.14 64.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.347 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.2 -51.09 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.535 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -46.53 -34.83 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -71.19 -36.9 72.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.745 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.59 -41.07 80.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.53 -39.65 94.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.344 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.0 -40.04 94.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.55 -56.41 14.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.64 -23.75 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.457 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.16 -36.2 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -68.14 -10.26 52.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.21 -1.84 56.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.79 -1.27 16.58 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 25' ' ' LYS . 7.0 p -64.36 64.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.0 ptmt 36.98 -165.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 0.0 110.498 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.7 t -117.84 108.77 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.237 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD1' ' A' ' 78' ' ' ILE . 12.2 ptmt -116.7 150.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.609 -179.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 98.2 m-85 -80.8 133.66 35.66 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -89.01 -37.02 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.626 0.726 . . . . 0.0 111.734 178.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 6.5 t0 -55.44 -62.67 1.53 Allowed 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.797 -178.03 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.69 -59.93 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.379 . . . . 0.0 111.843 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 28' ' ' TYR . 98.0 mt -47.52 -43.66 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HZ2' H132 ' A' ' 201' ' ' MYR . 76.9 tttt -80.21 -47.57 14.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.924 0.393 . . . . 0.0 111.638 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 64.9 t80 -51.62 -54.23 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.527 -178.835 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.78 -51.14 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 98.1 m-20 -54.23 -59.51 4.57 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.21 -60.82 3.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.798 0.333 . . . . 0.0 111.461 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 44.0 t -43.64 -60.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.256 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.28 -46.83 81.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.552 -179.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 60.5 t0 -57.07 -69.56 0.15 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -178.592 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.2 -43.17 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.68 79.23 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.102 0.477 . . . . 0.0 111.112 -179.465 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.08 -18.61 9.95 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.788 2.326 . . . . 0.0 112.262 179.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -122.19 -7.33 8.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.257 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.538 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 3.1 m-85 -138.36 67.77 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.82 4.06 4.44 Favored 'Trans proline' 0 C--N 1.3 -1.975 0 C-N-CA 122.942 2.428 . . . . 0.0 112.236 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.62 -49.89 74.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -121.58 -78.78 0.6 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.3 100.49 0.02 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 p -87.44 168.93 12.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 0.0 110.192 179.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.25 125.51 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -129.95 137.63 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.464 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.68 -38.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.24 -46.61 79.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 65.9 mmt-85 -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.42 -179.592 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 63.0 t-105 -41.06 -36.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -72.17 -44.6 62.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.635 178.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 88.2 mtt-85 -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.467 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.9 t -72.0 -22.82 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.33 -46.85 55.13 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 33.9 t70 -69.35 -39.25 78.24 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.082 0.468 . . . . 0.0 110.429 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -50.88 -66.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.619 -179.747 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -63.12 -47.12 84.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.88 -62.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -50.61 -24.29 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.54 -39.29 20.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.533 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 76.8 t80 -64.68 -41.3 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' N ' ' A' ' 70' ' ' PHE . 10.8 m120 -70.77 -60.29 2.33 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.7 m -47.42 -16.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.071 0.462 . . . . 0.0 110.234 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.486 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 90.2 t80 -87.7 4.13 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 54.72 68.44 1.68 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 63.2 Cg_endo -78.92 160.01 27.36 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.008 2.472 . . . . 0.0 112.138 179.616 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -101.79 2.13 38.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.61 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -124.78 26.3 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 9.9 p -44.16 99.97 0.22 Allowed Pre-proline 0 CA--C 1.533 0.32 0 O-C-N 123.61 0.569 . . . . 0.0 109.982 -178.376 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.86 144.26 13.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.864 2.376 . . . . 0.0 112.695 -178.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.67 -7.12 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 67.5 mt -53.03 -20.26 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -58.27 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 0.0 110.674 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -43.94 -47.91 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 46.1 p -63.87 -42.78 97.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.5 m-85 -53.7 177.2 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.638 -179.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.525 ' O ' ' CE3' ' A' ' 83' ' ' TRP . 0.8 OUTLIER 60.97 -67.25 0.05 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.399 0.619 . . . . 0.0 110.652 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 82' ' ' TYR . 53.5 m-20 -51.92 -41.01 61.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.42 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.54 -33.7 76.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 86' ' ' ILE . 34.8 mm -56.8 -41.75 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.946 -179.065 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -65.26 -56.42 12.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 19.1 tp10 -59.45 -21.45 60.07 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.179 0.514 . . . . 0.0 110.499 -179.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.4 mt -71.98 -53.24 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.978 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.1 tt -51.9 -32.64 14.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 121.553 0.692 . . . . 0.0 110.181 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -60.05 -59.32 5.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.812 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.478 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 58.2 mttp -58.16 -36.65 73.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.297 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.745 ' NZ ' ' H82' ' A' ' 201' ' ' MYR . 7.3 mmtt -54.64 -23.16 15.97 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.248 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -45.56 -12.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.0 111.357 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 93' ' ' LYS . 4.3 t -52.59 -65.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 1.1 m120 163.87 65.12 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 110.268 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 93' ' ' LYS . 20.1 Cg_endo -92.05 -166.2 0.16 Allowed 'Trans proline' 0 C--N 1.294 -2.307 0 C-N-CA 123.107 2.538 . . . . 0.0 112.663 -178.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -68.01 -25.08 65.22 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.065 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.48 -42.69 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.343 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mmm -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -45.63 68.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.579 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.47 -16.35 0.57 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -91.67 -53.43 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.183 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.31 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -79.48 -53.38 6.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -60.95 -42.95 99.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.498 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -127.48 85.5 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.531 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.42 148.02 51.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 pt -55.84 -37.48 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 74.8 mt -94.47 111.07 22.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.141 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -149.03 153.88 38.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.72 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 114' ' ' SER . 27.9 t -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -40.18 -33.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.488 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 112' ' ' SER . 15.0 p -74.32 164.33 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.747 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -42.82 -58.16 2.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.689 ' HG1' ' H ' ' A' ' 119' ' ' GLU . 8.4 p -134.63 144.79 48.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.425 179.844 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.86 -36.86 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.708 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.1 mt -63.92 -40.7 97.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.689 ' H ' ' HG1' ' A' ' 116' ' ' THR . 88.6 mt-10 56.73 149.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -134.94 137.48 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.25 -44.79 96.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -78.28 142.06 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.462 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -121.02 147.96 44.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.437 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -110.33 159.28 17.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.48 -179.81 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.745 ' H82' ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.1 mt-30 -46.07 -46.09 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.562 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 7' ' ' GLN . 38.4 tp10 -43.19 -15.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 179.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.564 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.1 tt -55.21 -42.78 73.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -59.09 -41.63 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' OE1' ' OE2' ' A' ' 4' ' ' GLU . 55.3 tt0 -66.34 -36.72 83.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -60.28 -37.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.69 -63.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -48.85 -47.71 42.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLN . 6.2 m-85 -61.03 -53.01 62.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -44.11 -37.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -69.57 -37.57 77.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 mm-40 -66.16 -42.04 89.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.26 -41.15 98.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.74 -46.4 89.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -57.72 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -31.12 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -61.32 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.607 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 p -75.71 -5.25 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 -179.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' NH2' ' HG ' ' A' ' 81' ' ' SER . 70.5 mtm180 -92.55 -1.91 56.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.35 90.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.7 p -63.26 147.59 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.607 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.09 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.34 100.28 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -120.4 153.26 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.94 133.61 36.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.22 -42.12 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 27.8 t0 -52.05 -55.63 19.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.481 -178.75 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.19 -62.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 -178.207 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -45.97 -45.48 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HZ2' H121 ' A' ' 201' ' ' MYR . 71.7 tttt -78.01 -50.07 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.588 -178.686 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.3 t80 -48.59 -64.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 -179.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -57.53 -51.25 70.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -178.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -53.44 -60.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -178.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -60.64 -58.8 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 42' ' ' CYS . 43.5 t -42.32 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -178.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -64.2 -41.02 97.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 -178.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -63.64 -71.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.72 -42.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.28 81.09 29.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.609 -179.037 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -80.31 -21.39 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.866 2.377 . . . . 0.0 112.091 179.05 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -125.06 4.03 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -144.28 69.55 15.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.64 -0.21 10.47 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.856 2.37 . . . . 0.0 112.075 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.62 -54.0 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -103.65 -79.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.607 179.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.77 115.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -116.75 161.97 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.7 131.62 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -135.73 142.13 44.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.548 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.25 -39.56 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.9 -47.73 70.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' ARG . 94.4 mtt-85 -69.97 -68.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 46.5 t90 -38.01 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.557 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.745 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -75.06 -45.09 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.741 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' ARG . 94.0 mtt180 -64.61 -56.23 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.292 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.0 t -71.93 -22.58 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -45.86 59.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 65' ' ' ASP . 24.4 t70 -68.21 -37.76 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.548 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 85.6 m -53.67 -67.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.5 -45.08 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -64.18 -61.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.7 t0 -55.61 -20.41 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.98 -42.77 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 74.8 t80 -62.72 -39.55 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -71.47 -56.08 6.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.586 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 24.3 m -52.09 -21.8 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 82.9 t80 -80.19 2.09 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.07 73.56 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.9 Cg_endo -79.87 158.47 24.36 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.885 2.39 . . . . 0.0 112.106 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -100.03 0.89 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 72.0 mmtt -127.19 31.23 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.263 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 10.7 p -45.28 102.97 0.32 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.357 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 56.8 Cg_endo -81.95 145.4 14.06 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.77 2.313 . . . . 0.0 112.117 -178.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -76.08 -19.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.84 -20.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -46.43 -40.94 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.496 ' HG ' ' NH2' ' A' ' 22' ' ' ARG . 68.8 m -61.95 -42.93 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.2 m-85 -55.35 178.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.647 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.745 ' HE1' HH12 ' A' ' 57' ' ' ARG . 68.5 t90 65.63 -62.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.622 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 82' ' ' TYR . 6.6 m120 -61.32 -42.69 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.57 -35.55 79.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.37 -44.03 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.77 -59.81 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.75 -19.32 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.089 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.89 -57.59 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 91' ' ' ASP . 8.1 tt -51.77 -36.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.46 ' N ' HG23 ' A' ' 90' ' ' ILE . 93.1 m-20 -57.41 -62.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -26.05 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 95' ' ' VAL . 4.0 mttp -80.03 -13.44 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -46.77 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.535 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.7 t -47.45 -68.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.515 -179.393 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 9.3 t30 168.01 67.23 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 179.392 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 31.9 Cg_endo -90.45 -166.96 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.827 2.351 . . . . 0.0 112.107 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.78 -26.57 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.8 t -56.65 -45.02 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtp -70.43 -30.52 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -65.74 -51.95 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -49.28 -13.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.217 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 101' ' ' ALA . 4.7 t -101.04 -53.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.83 8.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.513 178.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 103' ' ' VAL . 69.3 tp60 -123.66 -46.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.595 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 42.6 m -68.88 -15.42 63.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 179.733 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 56.51 55.99 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.685 ' O ' ' C ' ' A' ' 109' ' ' ILE . 92.3 mt-10 -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.754 ' CG2' ' H ' ' A' ' 110' ' ' LEU . 7.4 tt 0.53 -73.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.754 ' H ' ' CG2' ' A' ' 109' ' ' ILE . 1.2 mp -129.34 -17.28 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.077 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -77.3 126.25 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -88.23 -175.02 4.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.524 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.5 -39.59 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.1 p -165.89 25.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -121.26 179.3 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -77.7 167.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.603 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.83 -26.71 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.62 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -42.0 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 55.08 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -111.48 136.12 51.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.57 139.55 51.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -113.1 127.36 56.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.525 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.78 133.8 43.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' HIS . 53.5 p-80 -102.43 122.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.484 ' OXT' ' CG ' ' A' ' 125' ' ' HIS . 41.8 p-80 . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.577 H121 ' HZ2' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.7 mt-30 -42.72 -37.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 83.8 tt0 -38.75 -23.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.643 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.8 tt -50.24 -43.83 53.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.595 179.049 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -59.98 -38.58 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.562 ' ND1' ' H92' ' A' ' 201' ' ' MYR . 79.8 t60 -53.86 -40.41 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -63.99 -63.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -48.24 -48.16 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.2 m-85 -62.53 -55.84 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.561 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -40.94 -39.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -69.32 -36.61 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 -179.196 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.3 mt-30 -65.65 -43.89 88.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 -178.802 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -61.59 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 -179.407 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.68 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -57.55 -51.03 71.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.63 -57.32 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -178.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.27 -32.47 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -62.29 -21.47 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 34.4 p -82.5 -2.7 54.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.105 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' NH2' ' HG ' ' A' ' 81' ' ' SER . 86.5 mtt180 -94.82 3.48 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.16 84.62 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -60.89 147.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.3 ptmt -54.49 -168.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.97 97.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -118.63 149.95 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.322 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -77.27 133.08 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.4 13.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.529 ' CG ' ' HE2' ' A' ' 8' ' ' HIS . 18.7 t0 -52.6 -56.61 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.85 -62.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.589 -178.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.8 tp -44.91 -45.46 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -79.09 -48.77 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -178.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 82.1 t80 -49.56 -63.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.29 -53.78 54.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -51.6 -60.66 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -178.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -61.08 -56.75 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' CYS . 47.0 t -44.75 -61.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -178.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -63.45 -42.43 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -177.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -62.27 -70.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 -178.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.17 -43.25 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.31 80.87 37.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -178.912 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -80.62 -20.39 8.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.345 . . . . 0.0 112.112 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -123.15 -0.35 8.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 66.1 m-85 -144.02 65.73 14.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.205 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.16 4.01 5.19 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.812 2.341 . . . . 0.0 112.052 -179.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.39 -48.43 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -109.14 -78.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 179.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 p -102.63 161.83 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.54 178.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.682 ' CG2' H143 ' A' ' 201' ' ' MYR . 1.7 pp -74.58 129.69 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -131.45 139.96 49.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.13 -40.42 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.43 -47.42 73.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.9 mtt180 -72.3 -68.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -178.68 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 27.7 t90 -37.66 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.707 HH12 ' HE1' ' A' ' 83' ' ' TRP . 61.7 ttm-85 -75.15 -44.6 45.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.5 ttm180 -63.72 -58.66 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -69.79 -24.1 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.76 62.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -178.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' ASP . 8.0 t70 -70.27 -38.25 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 79.3 m -51.67 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.319 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -64.93 -43.99 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 -178.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -65.5 -62.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -178.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 61' ' ' ASP . 22.9 t70 -54.5 -32.26 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.611 -178.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -76.48 -42.85 42.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -67.2 -37.81 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.04 -61.8 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 82.7 m -42.97 -31.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -178.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.99 -53.87 43.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 121.24 71.88 0.3 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.61 165.89 20.08 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.764 2.309 . . . . 0.0 112.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -101.95 1.62 36.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -126.17 29.85 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 7.8 p -43.59 102.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.514 -179.451 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -81.67 144.16 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.8 2.333 . . . . 0.0 112.096 -178.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.2 -23.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.62 -24.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.15 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -46.94 -41.69 16.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.504 ' HG ' ' NH2' ' A' ' 22' ' ' ARG . 5.3 t -61.28 -44.87 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -54.26 179.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 -179.651 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.707 ' HE1' HH12 ' A' ' 57' ' ' ARG . 45.8 t90 64.16 -61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 29.6 m-20 -61.48 -42.71 99.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.96 -34.42 77.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.628 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.94 -43.87 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -65.86 -61.51 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -57.73 -20.58 35.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 -179.123 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.15 -58.31 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 91' ' ' ASP . 8.2 tt -52.86 -34.4 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.424 ' N ' HG23 ' A' ' 90' ' ' ILE . 86.3 m-20 -58.38 -65.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.26 -42.72 99.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' A' ' 95' ' ' VAL . 82.2 tttt -63.94 -13.76 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -58.26 -2.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.692 ' CG1' ' H ' ' A' ' 96' ' ' ASN . 7.1 p -44.58 -62.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -177.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.692 ' H ' ' CG1' ' A' ' 95' ' ' VAL . 1.2 m120 164.33 60.12 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.628 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.9 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.791 2.327 . . . . 0.0 112.111 179.065 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.507 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 68.0 tp60 -65.17 -26.34 68.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.026 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.97 -44.91 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mmm -70.01 -28.77 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 103' ' ' VAL . . . -69.92 -50.95 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.51 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 -13.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.51 ' C ' ' H ' ' A' ' 105' ' ' GLN . 10.2 t -98.04 -52.71 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.589 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.33 13.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 178.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 103' ' ' VAL . 86.2 mt-30 -128.8 -49.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.8 m -66.04 -19.34 65.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 58.49 69.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' O ' ' OE2' ' A' ' 119' ' ' GLU . 96.9 mt-10 -71.05 156.34 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.559 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.2 tt -49.28 -32.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.4 mt -102.42 133.18 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.267 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -160.44 -175.0 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 114' ' ' SER . 28.2 t -63.44 -40.5 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.531 ' C ' ' H ' ' A' ' 115' ' ' GLN . 62.3 t30 -70.02 49.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 112' ' ' SER . 7.2 m -47.38 -12.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' A' ' 113' ' ' ASN . 67.5 tp60 -60.66 -42.08 96.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 179.624 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.7 p -136.2 96.71 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.88 -3.05 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.01 -38.73 92.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 -179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' OE2' ' O ' ' A' ' 108' ' ' GLU . 97.5 mt-10 56.17 -98.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -114.11 142.29 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -95.06 121.6 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -115.59 153.02 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.643 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -103.89 130.73 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' A' ' 124' ' ' HIS . 11.2 p80 -90.34 143.27 26.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.603 -179.916 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 201' ' ' MYR . . . . . 0.682 H143 ' CG2' ' A' ' 51' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.83 0.348 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -55.3 -41.07 71.87 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.118 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -65.01 -36.75 85.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.36 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.85 -34.71 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.249 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.93 -59.77 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.149 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -53.7 -43.46 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.37 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.7 m-85 -61.89 -49.97 74.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.732 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.72 -37.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.36 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.76 -36.31 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.6 mt-30 -67.95 -41.01 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.339 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -62.5 -39.03 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.294 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.69 -44.1 97.1 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -53.41 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HG12 ' A' ' 24' ' ' VAL . 67.2 mt -61.52 -26.32 67.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 110.205 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -63.94 -34.31 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.496 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -73.7 -13.58 61.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -79.86 1.49 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 2.5 73.12 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -68.82 149.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.559 0.218 . . . . 0.0 110.468 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.2 ptmt -51.67 -165.6 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.744 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -111.39 105.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 111.453 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HD3' HD22 ' A' ' 32' ' ' LEU . 14.9 ptpt -132.18 164.98 25.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.69 134.31 35.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 -46.89 10.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 39.1 t0 -54.17 -51.58 63.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.082 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.48 -58.94 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.517 0.511 . . . . 0.0 111.525 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD22 ' HD3' ' A' ' 27' ' ' LYS . 53.4 tp -49.08 -42.53 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.976 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -76.03 -48.77 19.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.0 m-85 -51.86 -64.9 0.67 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.508 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -47.87 -57.4 5.71 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.332 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -55.57 -58.12 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.785 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CZ ' ' NE1' ' A' ' 56' ' ' TRP . 7.0 m-85 -66.12 -54.92 19.65 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 86.0 t -43.64 -44.7 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.935 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -79.84 -21.21 44.44 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.299 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' PHE . 8.8 t70 -74.44 -66.73 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.035 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 41' ' ' ILE . 33.6 pt -84.86 -15.98 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.615 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 45' ' ' PHE . 2.2 m -130.35 63.13 68.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.1 -23.72 15.59 Favored 'Trans proline' 0 C--N 1.301 -1.934 0 C-N-CA 122.717 2.278 . . . . 0.0 112.906 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 44' ' ' TRP . 15.8 t90 -122.04 -3.67 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p90 -145.58 75.31 13.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 121.001 0.429 . . . . 0.0 111.425 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.4 5.99 5.42 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.981 3.121 . . . . 0.0 111.665 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -62.0 -51.78 66.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.406 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -115.8 -78.44 0.58 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.84 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . 63.13 88.46 0.04 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -82.68 163.42 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.18 125.42 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.079 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 63.2 m-20 -132.17 139.33 48.34 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.698 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 86' ' ' ILE . 46.1 mt -94.19 -40.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.294 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -46.72 80.16 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.967 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 52' ' ' ASP . 50.6 mtm180 -72.26 -63.89 1.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.546 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.629 ' NE1' ' CZ ' ' A' ' 37' ' ' PHE . 44.8 t90 -42.84 -27.85 0.21 Allowed 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 55' ' ' ARG . 59.3 ttp180 -72.83 -46.19 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 81.4 mtp180 -63.52 -52.29 61.82 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.116 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.31 -23.87 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.282 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.45 -50.5 37.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.0 t70 -64.97 -40.87 95.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.91 -45.62 92.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.98 -61.84 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.955 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -51.76 -24.75 6.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.068 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -83.36 -43.55 15.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.66 -44.14 97.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.05 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.56 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.9 m -51.32 -17.21 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.4 t80 -84.85 5.41 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.12 72.04 0.61 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.55 159.87 38.91 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.742 2.295 . . . . 0.0 112.261 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -100.74 -9.0 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -121.97 39.04 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.182 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -46.64 102.61 0.31 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.255 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -82.24 143.23 12.48 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.654 2.236 . . . . 0.0 112.8 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 -22.19 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.691 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.4 mt -47.75 -21.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.363 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.66 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 110.472 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -47.29 -42.04 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.672 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 m -59.38 -42.33 91.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.71 179.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.169 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 53.1 t90 68.31 -65.58 0.26 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.806 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -60.51 -40.7 92.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.6 HD23 ' CD ' ' A' ' 88' ' ' GLU . 24.6 mt -66.05 -33.43 75.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.884 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 HG12 ' A' ' 53' ' ' ILE . 25.6 mm -60.12 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.29 -58.37 6.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.6 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -59.37 -21.03 59.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.77 -54.53 15.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 tt -53.17 -37.31 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.315 0.578 . . . . 0.0 109.551 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.48 -62.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.031 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.4 -10.41 11.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 95' ' ' VAL . 8.9 mttp -86.42 -14.85 42.1 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.784 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -47.46 -9.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -51.68 -64.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.332 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 8.2 t30 162.9 69.57 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.637 0 CA-C-O 121.351 0.596 . . . . 0.0 110.554 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -92.23 -168.0 0.21 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 123.186 2.59 . . . . 0.0 111.664 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.84 -24.74 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.9 t -58.84 -44.77 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 84.2 mtp -69.29 -30.05 68.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.21 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.98 -47.65 67.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -15.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.482 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.408 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.0 t . . . . . 0 C--N 1.328 -0.329 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.455 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.757 0.313 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -60.78 -37.66 82.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.22 -38.77 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -60.92 -37.73 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.07 -62.55 1.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -51.33 -43.44 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.041 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.8 m-85 -62.74 -52.88 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.657 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.3 t -44.46 -37.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.24 -38.45 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' TYR . 85.4 mm-40 -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.066 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.2 mm? -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -61.94 -42.31 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.659 ' O ' HG23 ' A' ' 21' ' ' THR . 87.7 mt-30 -58.04 -48.23 80.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.84 -54.76 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 mt -64.38 -32.98 74.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.024 0.44 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.3 -23.22 65.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 17' ' ' GLN . 39.2 p -87.37 -3.75 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.679 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -90.05 9.26 28.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.657 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.88 35.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.4 p -65.52 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.543 0.211 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 24' ' ' VAL . 10.9 ptmt -51.82 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.643 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.26 107.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -130.66 149.13 52.46 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.156 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -69.76 134.27 48.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.185 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.1 -45.21 12.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.8 t0 -48.83 -50.44 34.47 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.236 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.36 -59.88 4.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.474 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -47.56 -46.94 28.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.617 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 17.4 mmtt -76.55 -47.48 22.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.0 t80 -51.64 -63.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.678 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.2 t80 -58.84 -50.12 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.617 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -52.04 -59.43 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 m-85 -65.5 -49.39 69.18 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.948 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.6 t -49.75 -58.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -66.84 -40.46 87.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.524 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.11 -67.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.694 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.37 -43.65 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.27 77.61 13.27 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 121.364 0.602 . . . . 0.0 111.093 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.71 -22.61 11.79 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.309 2.006 . . . . 0.0 112.286 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 94.1 m95 -122.79 1.98 9.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.293 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TRP . 74.0 m-85 -144.67 66.22 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.44 1.16 9.06 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.054 2.502 . . . . 0.0 111.978 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.12 -50.93 66.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -99.28 -78.16 0.51 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.428 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.27 116.75 0.05 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -125.86 156.38 39.7 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.425 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.9 pp -76.25 128.34 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.303 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 88.6 m-20 -136.2 144.71 45.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.426 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.8 mt -97.71 -40.27 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HB3' HH22 ' A' ' 58' ' ' ARG . 64.9 mmtt -66.21 -44.85 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.238 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.1 mtt180 -71.43 -65.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.029 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -44.61 -21.93 0.07 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -75.69 -48.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.843 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 55' ' ' ARG . 94.0 mtm-85 -63.62 -55.02 26.86 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.063 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.15 -22.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.9 62.6 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 32.6 t70 -70.44 -39.42 74.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -52.48 -65.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.839 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -63.44 -46.7 85.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.81 -59.63 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.17 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.3 t0 -56.13 -30.42 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.196 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -74.49 -45.03 48.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -65.67 -39.35 91.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -78.59 -60.58 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.229 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 33.6 m -46.73 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.415 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -65.28 -53.15 48.44 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.581 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.49 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.26 70.24 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.3 Cg_endo -81.57 160.33 19.41 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.105 2.536 . . . . 0.0 112.304 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -102.85 2.74 35.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -124.66 23.31 8.07 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -44.41 100.92 0.24 Allowed Pre-proline 0 CA--C 1.532 0.256 0 O-C-N 123.516 0.51 . . . . 0.0 110.081 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.91 154.04 19.65 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.853 2.369 . . . . 0.0 112.7 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p -76.85 -25.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.557 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.2 mt -45.66 -24.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -55.43 -64.58 0.8 Allowed 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.565 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -43.37 -34.51 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.861 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -37.39 85.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.16 162.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.501 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 7.2 t90 68.83 -60.39 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -58.47 -45.88 87.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.748 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -38.35 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.057 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mm -58.13 -43.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.25 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 90' ' ' ILE . 8.2 tttm -65.87 -59.67 3.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.556 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -56.85 -22.46 36.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.47 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -55.3 10.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.029 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.2 tt -51.9 -32.68 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.07 -63.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.452 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.97 -10.49 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.477 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 95' ' ' VAL . 2.7 mttp -89.7 -15.91 31.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -46.11 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 93' ' ' LYS . 24.1 t -47.67 -64.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 3.7 m-20 162.02 67.67 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 CA-C-O 121.456 0.646 . . . . 0.0 110.61 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.12 -168.62 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.026 2.484 . . . . 0.0 112.25 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -61.78 -30.89 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.203 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 51' ' ' ILE . 72.8 t -50.74 -42.42 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.941 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.96 -35.31 80.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.438 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.48 -51.18 54.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.6 -17.23 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.157 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.6 t . . . . . 0 C--N 1.331 -0.23 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.493 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.759 0.314 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -58.87 -41.56 87.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.686 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.487 ' OE1' HG21 ' A' ' 95' ' ' VAL . 7.4 tt0 -63.43 -40.02 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.197 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.7 -39.63 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -59.35 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.051 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -51.33 -44.59 62.02 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.295 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.6 m-85 -59.76 -52.57 64.91 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.464 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.88 -36.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.449 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.2 mt-30 -64.31 -41.69 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.84 -40.87 98.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -62.06 -40.48 95.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 21' ' ' THR . 96.0 mt-30 -58.4 -47.46 83.8 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.257 0.551 . . . . 0.0 110.412 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.3 -56.56 19.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.78 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.96 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.89 -21.4 60.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.7 p -78.83 -4.54 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -92.02 -1.43 57.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.36 89.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -61.97 145.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.679 0.276 . . . . 0.0 110.45 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.4 ptmt -53.57 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.95 99.99 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -122.53 154.72 37.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.92 133.59 35.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.208 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.21 -45.7 10.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.1 t70 -54.22 -53.53 52.36 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.83 -59.68 3.63 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.392 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.4 tp -48.47 -41.81 30.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.352 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -81.76 -48.16 11.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.385 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.3 t80 -52.65 -57.16 10.95 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.605 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -62.09 -51.95 65.88 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.624 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -53.52 -56.19 19.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 111.103 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.19 -54.38 34.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.692 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.8 t -45.21 -56.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.833 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -63.37 -41.3 98.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 53.5 t0 -66.69 -67.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.276 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.62 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -117.86 77.69 11.96 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.82 -22.3 7.71 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.633 2.222 . . . . 0.0 112.195 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 m-90 -121.85 0.3 9.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 43.1 m-85 -141.49 66.37 23.09 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.781 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.57 -2.19 12.37 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 C-N-CA 122.896 2.397 . . . . 0.0 112.144 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.82 -48.8 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -98.65 -76.13 0.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.81 109.99 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 p -124.08 159.18 30.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' HD12 ' A' ' 51' ' ' ILE . 2.3 pp -76.45 130.86 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.296 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -135.18 143.86 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.455 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.5 mt -98.06 -40.26 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -66.08 -44.32 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.5 mtt-85 -72.82 -65.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.486 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 70.0 t-105 -43.62 -22.82 0.05 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 55' ' ' ARG . 56.2 ttp180 -76.84 -47.9 20.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -63.16 -55.49 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.461 . . . . 0.0 111.24 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.37 -22.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.68 -45.39 66.23 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 13.8 t70 -68.54 -39.82 80.97 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.66 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.17 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.59 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.86 -46.05 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.96 -60.37 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.044 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 44.1 t0 -54.0 -23.42 13.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.272 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.39 -40.33 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 82.8 t80 -63.28 -42.69 99.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.348 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.84 -55.06 9.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -54.73 -18.23 4.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.503 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 64.3 t80 -82.83 0.0 46.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.665 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.51 71.72 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.6 Cg_endo -77.62 155.28 31.43 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 123.008 2.472 . . . . 0.0 112.272 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -101.18 1.52 39.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -126.51 33.0 5.07 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.714 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -44.32 100.57 0.23 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 O-C-N 123.862 0.726 . . . . 0.0 110.009 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -81.45 144.85 14.55 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.909 2.406 . . . . 0.0 112.627 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 p -78.48 -12.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.744 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 82' ' ' TYR . 84.8 mt -50.51 -18.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -57.49 12.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.476 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.07 -47.59 61.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.86 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 78.2 p -59.76 -36.66 77.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 3.2 m-85 -68.19 177.5 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.1 t90 64.4 -65.38 0.14 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.433 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 94.0 m-20 -60.61 -42.65 97.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -66.14 -33.5 75.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.837 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.05 -42.52 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.9 tmtt? -66.29 -58.72 4.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.512 0.672 . . . . 0.0 110.521 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.06 -21.47 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.6 -56.75 7.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.098 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -52.22 -31.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.335 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.06 -62.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.0 mttt -63.33 -43.83 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.55 ' C ' ' H ' ' A' ' 95' ' ' VAL . 79.2 tttt -59.93 -17.36 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -52.99 -5.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.532 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' LYS . 86.5 t -43.49 -65.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 5.1 m-20 165.02 60.55 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 0.0 110.904 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.1 Cg_endo -91.24 -156.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 123.09 2.527 . . . . 0.0 112.194 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.84 -28.29 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.933 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.9 t -54.39 -44.71 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.168 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.58 -31.86 71.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.76 -52.84 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.255 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.2 -18.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.9 t . . . . . 0 C--O 1.224 -0.251 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.227 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -57.82 -38.99 76.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.39 -39.07 91.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.07 -40.74 81.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.496 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.84 -62.38 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.218 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -51.11 -43.01 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.799 ' OH ' HG21 ' A' ' 95' ' ' VAL . 5.0 m-85 -62.24 -51.34 68.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.63 -36.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.377 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.45 -39.99 77.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.585 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.5 -42.85 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -62.23 -41.08 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -62.59 -41.6 99.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.225 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -58.52 -46.02 87.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.837 0.351 . . . . 0.0 111.095 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.27 -52.64 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.598 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 24' ' ' VAL . 48.0 mt -67.42 -29.74 69.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.462 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -59.72 -28.75 67.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.621 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 76.7 p -78.37 -4.14 46.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.828 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.549 HH22 ' CB ' ' A' ' 81' ' ' SER . 81.5 mtp180 -93.81 0.2 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.87 -2.54 32.76 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.66 61.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 O-C-N 123.628 0.252 . . . . 0.0 110.393 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.7 ptmt 36.14 -163.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.18 0.3 . . . . 0.0 110.282 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.04 109.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HD3' HD22 ' A' ' 32' ' ' LEU . 81.1 tttt -123.72 156.87 35.18 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.371 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -83.47 134.23 34.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.238 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.84 -40.41 16.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 25.9 t0 -55.43 -58.04 9.39 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.177 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.23 -60.44 3.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.45 . . . . 0.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' A' ' 27' ' ' LYS . 61.6 tp -48.77 -45.55 40.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.196 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.66 ' HZ1' HD11 ' A' ' 89' ' ' LEU . 79.6 tttt -76.92 -47.66 20.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.373 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 81.0 t80 -51.95 -64.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.42 -50.55 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.485 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.21 -58.0 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -57.53 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.67 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CE2' ' A' ' 34' ' ' PHE . 53.3 t -45.99 -58.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.643 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -63.97 -44.77 91.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 37.2 t0 -61.24 -66.76 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.33 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 50' ' ' THR . 96.0 mt -66.17 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -118.94 78.44 16.33 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.365 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.89 -18.7 8.87 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.641 2.227 . . . . 0.0 112.148 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 2.9 m0 -120.94 -8.76 9.34 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.339 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 19.0 m-85 -136.76 69.46 58.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 0.0 110.493 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.33 1.92 7.84 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.791 2.327 . . . . 0.0 112.371 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.84 -50.53 70.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -103.04 -76.7 0.58 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.78 112.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.0 p -124.4 164.28 20.0 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -79.2 125.24 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -128.86 137.4 51.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.042 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -93.41 -41.62 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.4 -46.61 76.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.494 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 57' ' ' ARG . 93.9 mtt-85 -70.93 -64.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.566 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.449 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 41.9 t90 -43.3 -26.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.857 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 55' ' ' ARG . 76.9 ttt-85 -74.02 -46.64 42.2 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.684 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.68 -50.96 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.028 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.46 -24.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -47.94 62.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.8 t70 -68.81 -41.26 78.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 0.0 110.808 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.9 m -49.86 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.92 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.19 -46.33 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.529 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -53.54 -32.71 51.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.195 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -73.36 -45.84 52.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.55 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.029 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.58 -61.0 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 28.3 m -46.85 -28.07 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.277 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.45 -52.81 50.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.479 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.91 70.8 0.32 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 70.9 Cg_endo -81.07 163.4 20.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.18 2.586 . . . . 0.0 112.622 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -101.7 1.19 37.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -126.63 27.89 6.01 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.45 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.15 100.42 0.23 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.838 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.13 148.47 16.92 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.702 2.268 . . . . 0.0 112.909 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ALA . 10.4 p -75.29 -22.06 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.311 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.33 -21.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.258 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.94 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -46.41 -42.23 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.684 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.549 ' CB ' HH22 ' A' ' 22' ' ' ARG . 19.3 m -59.24 -42.59 91.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.82 173.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.46 -72.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -60.34 -41.27 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.275 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.64 -39.05 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -59.75 -43.22 91.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 0.0 109.889 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.05 -59.28 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.322 0.582 . . . . 0.0 110.886 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -57.74 -20.49 35.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.085 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD11 ' HZ1' ' A' ' 33' ' ' LYS . 2.9 tp -63.05 -57.69 9.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.713 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.22 -34.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.44 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.502 . . . . 0.0 110.688 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.9 mttm -59.86 -41.49 91.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.944 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 95' ' ' VAL . 83.3 tttt -64.46 -18.16 64.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -55.81 -5.77 0.18 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 92' ' ' LYS . 79.6 t -43.8 -65.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.091 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 6.0 m-20 166.92 61.45 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 121.355 0.598 . . . . 0.0 111.32 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.9 Cg_endo -90.91 -158.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 123.054 2.503 . . . . 0.0 111.717 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -65.34 -21.45 66.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.273 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.49 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.952 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.3 mmm -70.4 -31.13 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.373 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.14 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.87 -18.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.105 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.338 179.108 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -59.24 -48.4 81.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.086 0.469 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -65.76 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.266 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -66.87 -32.26 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -38.94 93.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -69.65 -44.27 70.9 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.65 -51.49 68.26 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.34 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.35 -46.11 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.4 -35.2 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.696 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -43.44 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -41.31 97.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.091 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -61.66 -40.67 95.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.221 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.8 -42.32 97.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.95 10.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.738 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 65.3 mt -61.45 -25.74 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -65.38 -34.73 79.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.762 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -74.89 -5.0 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -88.82 7.86 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.32 -4.76 31.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.8 p -66.34 151.61 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.613 0.244 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 9.9 ptmt -51.06 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.651 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.7 t -112.92 109.74 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.9 tttt -131.42 151.22 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.505 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -69.61 135.63 50.2 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.274 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.14 -44.57 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.116 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.1 t0 -53.53 -54.17 41.05 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -61.29 2.38 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.064 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 61.8 tp -47.82 -45.15 29.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' NZ ' HD21 ' A' ' 89' ' ' LEU . 77.8 tttt -77.25 -50.53 12.68 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.204 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.2 t80 -49.71 -62.69 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -57.94 -52.18 66.57 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.301 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 60.3 t0 -53.34 -59.73 4.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.252 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.28 -57.9 9.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.423 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.6 t -44.33 -56.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -64.39 -41.71 96.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' OD1' HG11 ' A' ' 59' ' ' VAL . 66.5 t0 -64.51 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.14 -43.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -118.91 79.37 17.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -80.0 -20.49 8.78 Favored 'Trans proline' 0 C--N 1.302 -1.875 0 C-N-CA 122.622 2.215 . . . . 0.0 112.385 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -123.47 -2.23 8.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.1 m-85 -141.43 65.51 21.46 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.06 0.457 . . . . 0.0 110.728 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.95 3.9 4.64 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 123.107 2.538 . . . . 0.0 112.191 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.1 -48.51 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.643 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -115.96 -78.5 0.58 Allowed 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.591 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.24 90.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 p -86.74 169.99 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -83.56 124.18 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 90.7 m-20 -137.13 141.0 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.4 mt -93.49 -33.58 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.99 -46.48 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 58' ' ' ARG . 99.5 mtt180 -70.62 -65.71 0.7 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CE3' ' OD2' ' A' ' 40' ' ' ASP . 44.3 t-105 -42.01 -30.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.091 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.69 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 58.4 ttm-85 -71.43 -50.21 34.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 55' ' ' ARG . 85.7 mtm180 -63.24 -52.63 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.556 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.5 t -71.91 -23.02 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.56 -47.09 43.83 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -68.91 -40.6 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 110.717 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.9 m -50.99 -66.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.944 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -63.06 -44.78 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -65.93 -62.78 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.0 t0 -50.35 -37.66 38.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.672 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.13 -45.9 58.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -63.23 -43.32 98.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.747 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -75.5 -61.89 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 31.4 m -45.39 -28.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.42 -54.73 24.41 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.4 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.61 71.07 0.25 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.3 Cg_endo -79.67 160.7 24.93 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.027 2.485 . . . . 0.0 112.439 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -101.63 -2.31 30.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -122.71 27.08 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.47 101.16 0.25 Allowed Pre-proline 0 N--CA 1.452 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.083 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -81.38 150.91 17.44 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.944 2.43 . . . . 0.0 112.549 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.9 p -75.9 -20.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.494 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 92.9 mt -45.37 -21.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -59.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -45.37 -45.29 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 p -57.63 -42.15 82.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.62 178.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.69 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 2.5 t90 71.39 -69.24 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.415 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.12 -41.83 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.21 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.78 -44.66 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.559 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -60.49 -57.09 14.21 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.063 0.459 . . . . 0.0 110.614 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -16.63 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.389 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.49 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 13.9 tp -64.42 -59.13 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.355 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.29 -32.64 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 94.3 m-20 -60.24 -66.72 0.48 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.102 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.9 mttt -51.52 -37.66 50.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -71.39 -13.97 62.02 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-O 121.16 0.505 . . . . 0.0 110.5 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 69.4 tt0 -60.92 -7.31 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.483 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.7 t -44.17 -66.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.769 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 4.5 m-20 165.24 63.62 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 121.691 0.758 . . . . 0.0 110.806 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 13.0 Cg_endo -90.08 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 123.211 2.608 . . . . 0.0 112.047 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.43 -16.3 61.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.417 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.85 -45.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.9 mtp -83.58 -25.58 30.79 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.611 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.91 63.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.14 80.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.001 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.464 0.244 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.015 -178.275 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -59.26 -44.67 92.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.18 -36.02 82.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.49 -39.11 86.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.231 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.24 -62.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -51.76 -46.81 64.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.408 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 5.8 m-85 -60.58 -52.71 64.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.314 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.63 -38.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.416 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.13 -36.2 79.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.693 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.9 mm-40 -66.63 -41.74 87.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.3 -40.33 97.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.269 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 21' ' ' THR . 85.6 mt-30 -56.49 -46.57 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.859 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.71 -54.86 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.8 -30.98 72.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.89 -28.02 68.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 17' ' ' GLN . 72.4 p -79.74 -4.41 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.809 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.424 HH22 ' HB3' ' A' ' 81' ' ' SER . 81.9 mtp180 -91.05 1.87 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.626 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.72 87.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.3 p -63.72 147.13 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.654 0.264 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.42 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.68 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.735 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' CE ' HD22 ' A' ' 32' ' ' LEU . 47.6 tttp -126.72 148.4 49.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.348 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -71.16 130.81 42.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.328 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.21 -40.55 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.617 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.6 t70 -54.45 -56.14 21.71 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.64 -58.56 5.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.447 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' A' ' 27' ' ' LYS . 55.7 tp -49.7 -42.99 47.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -80.6 -46.98 14.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 80.5 t80 -53.49 -54.07 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.696 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.32 -50.93 65.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.82 -60.69 3.43 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 61.8 t80 -53.97 -64.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.841 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.96 -58.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.23 -43.55 97.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.885 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.528 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 62.0 t0 -55.51 -67.26 0.3 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.496 -178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.1 pt -72.59 -25.81 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.654 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.2 72.72 78.51 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 111.043 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -79.95 -17.02 11.01 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 122.503 2.136 . . . . 0.0 112.053 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 96.3 m95 -122.09 -3.76 9.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m-85 -144.48 69.06 15.35 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 110.956 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.11 3.81 5.85 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.65 2.233 . . . . 0.0 112.01 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -61.82 -51.75 66.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.621 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -121.89 -79.98 0.62 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.082 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 95.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 p -83.04 160.6 21.91 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.6 pp -76.89 131.91 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 91.0 m-20 -136.73 144.92 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.1 mt -93.58 -35.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.479 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -65.41 -47.63 75.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.1 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 95.7 mtt-85 -71.54 -64.71 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.716 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 53.1 t-105 -42.14 -31.73 0.4 Allowed 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -70.9 -45.44 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.967 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 82.7 mtp180 -64.64 -56.53 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.101 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD1' ' A' ' 40' ' ' ASP . 84.7 t -69.98 -25.92 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 -45.77 74.57 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 10.0 t70 -72.62 -42.76 64.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.0 m -49.99 -64.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.957 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.31 -47.58 81.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.489 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.11 -60.3 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.45 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.1 t0 -54.57 -30.41 54.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.396 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -78.02 -40.04 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.91 0.386 . . . . 0.0 110.955 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -68.4 -39.51 81.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -79.75 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.467 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 41.1 m -46.43 -31.07 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.398 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.61 -52.35 61.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.245 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.515 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.78 69.88 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.515 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.2 Cg_endo -81.64 163.43 18.85 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.15 2.567 . . . . 0.0 112.394 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -100.47 -0.81 37.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.45 . . . . 0.0 110.674 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -124.13 27.65 7.04 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -45.81 102.97 0.32 Allowed Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.098 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -81.7 147.78 15.59 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.75 2.3 . . . . 0.0 112.722 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.52 -24.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.6 mt -46.29 -22.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.324 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.59 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -46.94 -38.23 10.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.568 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' HH22 ' A' ' 22' ' ' ARG . 4.3 p -59.66 -46.39 89.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' ASN . 12.8 m-85 -53.38 -179.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.408 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 t90 65.36 -65.96 0.15 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 82' ' ' TYR . 60.6 m-20 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.05 -34.41 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.33 -43.92 78.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tmtt? -67.07 -57.17 7.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.528 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.548 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 29.7 tp10 -59.42 -22.96 62.23 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.508 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -54.55 22.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.05 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -55.21 -34.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.03 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.99 -63.9 1.14 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.834 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.548 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 59.3 mttp -63.03 -9.99 12.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.529 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' A' ' 95' ' ' VAL . 59.5 tttt -91.74 -13.2 31.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -50.67 -6.3 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.037 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 6.7 t -44.31 -68.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.707 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 2.4 t-20 159.96 62.86 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.769 0.668 . . . . 0.0 111.099 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -92.16 -157.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.723 2.282 . . . . 0.0 112.067 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.54 -21.75 62.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.149 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.27 -44.67 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.104 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.1 mtp -67.16 -33.99 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.574 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.86 66.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.51 -22.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.331 -0.214 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.401 179.338 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.964 0.411 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -59.23 -44.53 92.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.417 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -64.66 -38.84 92.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.98 -40.03 83.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.6 -62.57 1.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -50.37 -44.43 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.349 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.91 -50.63 72.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.539 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.28 -39.55 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.207 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -66.99 -37.05 83.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 92' ' ' LYS . 94.8 mt-30 -65.97 -40.85 91.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.41 -39.93 95.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -63.41 -41.06 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.063 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.82 -44.56 90.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.65 -52.44 65.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' HG12 ' A' ' 24' ' ' VAL . 95.6 mt -65.28 -29.41 70.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 0.0 110.366 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.27 -29.79 70.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 78.8 p -76.27 -5.37 46.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.781 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.572 HH22 ' CB ' ' A' ' 81' ' ' SER . 97.8 mtt180 -93.85 -1.71 54.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.357 . . . . 0.0 110.655 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.33 -1.09 36.93 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.8 p -63.58 63.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 18.8 ptmt 36.85 -162.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.45 112.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.287 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HD3' HD11 ' A' ' 32' ' ' LEU . 84.4 tttt -131.24 149.24 52.66 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.256 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -71.58 134.04 46.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -40.8 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -44.65 -48.78 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.853 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.29 -49.87 65.62 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.415 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD11 ' HD3' ' A' ' 27' ' ' LYS . 89.3 mt -52.84 -50.02 64.55 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.152 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -75.11 -47.52 28.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.315 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 38' ' ' VAL . 83.1 t80 -52.41 -60.92 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.277 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 16.2 t80 -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.286 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.7 -63.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.73 -60.89 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.464 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 59.1 t -45.66 -50.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.975 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HZ2' ' HE2' ' A' ' 35' ' ' PHE . 95.8 mttt -80.21 -21.62 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.188 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.52 -68.66 0.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 112.123 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -94.54 -3.92 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -131.98 54.67 14.77 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-O 121.419 0.628 . . . . 0.0 110.476 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 50.6 Cg_endo -70.76 -20.79 29.7 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.269 1.979 . . . . 0.0 111.914 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 90.3 m95 -120.22 -6.86 9.88 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 5.4 m-85 -137.68 71.33 51.01 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.453 . . . . 0.0 110.677 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -78.19 -3.94 13.87 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -62.12 -51.62 67.17 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.505 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -122.21 -78.73 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.971 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.95 102.0 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -78.88 169.41 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -92.0 127.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -133.65 138.35 45.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.233 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.75 -28.51 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.944 0.402 . . . . 0.0 110.469 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -64.94 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -74.53 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.752 -0.379 . . . . 0.0 109.985 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -43.26 -39.19 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 109.774 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.739 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 42.2 ttm180 -69.68 -44.57 70.17 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.675 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 75.4 ttt180 -67.41 -57.75 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.297 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.76 -27.67 41.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.76 -46.95 64.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 65' ' ' ASP . 20.2 t70 -70.81 -39.37 73.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 76.2 m -53.22 -65.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.927 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.04 -41.87 99.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.557 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.86 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 57.5 tt0 -69.31 -59.97 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.355 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -55.68 -24.7 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.306 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -85.74 -45.08 11.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.01 -41.37 97.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -76.0 -59.24 2.85 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 94.6 m -46.95 -29.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.373 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.06 -54.54 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.38 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.92 69.1 0.18 Allowed Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.494 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 68.0 Cg_endo -79.57 163.09 24.39 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.115 2.543 . . . . 0.0 112.186 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -100.63 -5.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.02 33.29 5.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -45.61 100.97 0.24 Allowed Pre-proline 0 C--N 1.33 -0.269 0 O-C-N 123.47 0.482 . . . . 0.0 109.906 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -82.5 145.09 13.07 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.909 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.7 p -77.45 -20.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -44.68 -23.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.401 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -56.72 -61.64 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.278 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -44.99 -41.97 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.606 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.572 ' CB ' HH22 ' A' ' 22' ' ' ARG . 15.3 m -60.15 -43.33 95.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.766 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.6 172.0 0.27 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.739 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 7.6 t90 71.75 -61.35 0.49 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.11 -41.98 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.589 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.35 -34.75 79.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.735 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.28 -42.36 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -65.2 -63.03 1.2 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -53.95 -22.96 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.26 -49.18 62.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.5 tt -57.07 -34.13 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.406 0.622 . . . . 0.0 109.959 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -62.19 -62.86 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 86.6 tttt -55.76 -30.05 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.947 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 95' ' ' VAL . 6.0 mmtt -62.67 -28.49 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.508 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -42.93 -14.16 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 99.9 t -48.46 -64.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.081 -0.387 . . . . 0.0 111.33 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.515 ' CG ' HG12 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 164.55 66.49 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.654 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -94.7 -169.38 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 123.54 2.826 . . . . 0.0 112.051 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.09 -24.08 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.191 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.85 -44.34 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.083 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mmm -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.12 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.61 -20.18 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.378 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.363 179.24 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -59.35 -41.43 89.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.12 -37.5 87.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.388 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -57.57 -42.29 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.274 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.23 -61.6 2.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.161 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -49.83 -45.15 49.87 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.281 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.64 -50.32 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.879 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.68 -39.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.69 -38.05 83.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.47 -41.5 96.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.3 mm? -64.11 -39.94 95.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.658 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.1 -42.34 99.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -60.31 -43.64 96.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.73 -53.19 60.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.468 ' O ' HG12 ' A' ' 24' ' ' VAL . 90.2 mt -65.74 -28.36 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.02 -29.07 70.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.798 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 64.7 p -78.17 -5.45 51.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.886 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -91.98 1.5 57.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 70.43 -2.4 15.53 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.99 62.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.4 ptmt 35.4 -162.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -111.89 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.303 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 32' ' ' LEU . 84.7 tttt -122.39 155.84 35.22 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.74 133.64 35.15 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.39 -42.3 12.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.711 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.3 t0 -48.91 -48.43 42.56 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.769 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.32 -60.68 3.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.954 0.406 . . . . 0.0 111.196 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 27' ' ' LYS . 94.0 mt -47.83 -45.93 30.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.36 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -76.76 -47.55 21.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.198 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.5 t80 -52.56 -62.13 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.48 -51.61 68.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.906 0.384 . . . . 0.0 111.418 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 29.6 t0 -52.59 -58.75 5.78 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ILE . 11.4 m-85 -63.1 -54.18 41.93 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.5 t -48.46 -60.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.045 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.9 -43.03 97.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 5.8 t0 -64.87 -67.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.25 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' PHE . 95.8 mt -64.45 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.514 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.1 m -119.24 78.83 18.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.192 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.24 -23.38 7.59 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.605 2.203 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -121.54 -2.54 9.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 63.3 m-85 -139.89 64.31 27.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.68 0.61 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.888 2.392 . . . . 0.0 111.98 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.84 -50.45 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -95.11 -77.24 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.303 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 112.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -123.56 170.3 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -91.99 126.57 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -135.56 139.09 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.865 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 86' ' ' ILE . 76.9 mt -94.2 -40.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.862 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.84 -44.53 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 111.03 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' N ' ' A' ' 57' ' ' ARG . 35.4 ttm180 -68.7 -65.45 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -44.66 -22.51 0.08 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.261 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 55' ' ' ARG . 74.8 ttt180 -73.56 -46.58 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.843 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -62.94 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.03 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.55 -22.77 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.78 -48.12 51.23 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.7 t70 -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.9 m -50.3 -64.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.859 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.06 -47.6 82.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.09 -60.47 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.364 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 40.1 t0 -53.76 -35.21 61.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -74.39 -45.49 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.922 0.392 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.68 -41.05 96.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.6 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 32.4 m -47.22 -28.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.76 -52.03 62.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.87 69.78 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.6 Cg_endo -76.85 163.32 31.41 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.897 2.398 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -101.03 -5.19 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.798 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -123.21 33.42 5.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.353 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -46.01 102.0 0.28 Allowed Pre-proline 0 CA--C 1.531 0.233 0 O-C-N 123.455 0.472 . . . . 0.0 109.816 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 152.62 15.24 Favored 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 122.972 2.448 . . . . 0.0 112.815 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 79' ' ' ALA . 11.2 p -78.01 -23.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 74.9 mt -45.39 -22.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -55.6 -62.81 1.44 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -47.56 -43.85 25.58 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.485 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.9 p -60.23 -41.0 92.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.32 172.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 69.47 -65.57 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.773 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -59.7 -42.42 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.218 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.17 -37.38 87.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.815 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 HG12 ' A' ' 53' ' ' ILE . 25.2 mm -53.49 -48.88 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.45 -54.8 38.7 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.588 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -56.66 -24.45 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.273 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 89' ' ' LEU . 10.8 tp -64.5 -57.56 8.87 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.908 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 3.8 tt -52.33 -36.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 82.9 m-20 -57.37 -63.59 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.18 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -56.16 -37.54 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 95' ' ' VAL . 5.2 mttp -64.71 -18.7 65.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -45.43 -12.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.566 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 40.4 t -47.54 -64.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.083 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 5.9 m-80 166.97 68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.309 0 CA-C-O 121.335 0.588 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -90.7 -173.18 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.096 2.53 . . . . 0.0 112.149 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.475 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.94 -44.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.364 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.59 -32.15 71.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.44 71.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.96 -17.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.185 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 CA--C 1.528 0.127 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.313 179.233 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -56.82 -44.48 82.08 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.266 0.555 . . . . 0.0 110.137 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.62 -35.71 80.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.137 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.09 -30.72 71.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.54 -60.36 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -55.21 -45.27 75.91 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -60.98 -52.68 63.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.27 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -43.89 -35.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -71.18 -34.21 70.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 29.4 mm100 -69.72 -42.65 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.56 -40.54 97.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -63.58 -38.45 91.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.09 -43.65 91.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 111.034 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 -54.4 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.446 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.4 mt -63.86 -23.26 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.0 110.363 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -69.85 -4.62 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.759 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -92.17 2.2 56.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 0.5 63.5 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.5 p -72.06 150.68 8.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.442 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.5 ptmt -51.04 -164.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.385 0.428 . . . . 0.0 110.601 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -109.14 97.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -100.07 130.89 46.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.166 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -69.69 132.65 46.48 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.958 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -90.97 -39.48 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.53 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -54.98 -62.01 1.93 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.07 -60.33 2.92 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -50.62 -40.28 52.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.538 ' NZ ' HD21 ' A' ' 89' ' ' LEU . 78.1 tttt -81.65 -48.05 12.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.108 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.6 t80 -51.55 -56.41 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.486 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.542 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.05 -58.15 8.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.356 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE2' ' CH2' ' A' ' 56' ' ' TRP . 15.7 m-85 -61.87 -56.39 19.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.443 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.4 t -41.5 -45.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.1 -21.9 36.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.38 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 40.5 t0 -70.0 -68.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.155 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 50' ' ' THR . 2.0 pt -89.04 -7.86 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.627 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -131.85 57.29 29.11 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 121.748 0.785 . . . . 0.0 110.79 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.74 -25.32 20.53 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.15 1.9 . . . . 0.0 112.251 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.433 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 6.1 m-90 -120.32 3.5 10.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 7.4 m-85 -145.82 67.61 12.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.62 -1.64 11.77 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -62.21 -50.55 71.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.459 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -121.92 -78.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.875 0.369 . . . . 0.0 110.156 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.8 103.42 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.7 p -86.38 162.34 18.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.458 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 1.3 pp -81.51 135.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.767 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' A' ' 51' ' ' ILE . 97.4 m-20 -139.03 143.21 38.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.9 -33.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.089 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -45.58 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.6 mtt180 -76.49 -63.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.602 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.64 ' CH2' ' CE2' ' A' ' 37' ' ' PHE . 71.5 t-105 -42.03 -35.1 0.81 Allowed 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.672 ' NH2' ' NE1' ' A' ' 83' ' ' TRP . 57.7 ttm-85 -71.4 -44.61 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.252 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 68.3 ttt180 -63.76 -57.45 9.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.476 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.472 HG11 ' OD2' ' A' ' 40' ' ' ASP . 55.1 t -68.62 -24.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -50.25 35.15 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.0 t70 -67.76 -43.74 79.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 82.9 m -48.47 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.14 -46.98 81.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.271 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -61.82 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -50.21 -36.41 30.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -70.64 -45.84 64.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -62.46 -44.1 97.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -74.82 -61.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.253 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 49.2 m -44.81 -29.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.324 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.44 -52.44 58.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.586 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 120.85 70.7 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.8 Cg_endo -79.5 161.5 25.2 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.075 2.517 . . . . 0.0 112.223 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -100.21 0.61 40.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -126.28 28.76 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.414 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -46.57 102.89 0.33 Allowed Pre-proline 0 CA--C 1.532 0.265 0 O-C-N 123.803 0.69 . . . . 0.0 110.097 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.74 153.12 17.36 Favored 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.794 2.33 . . . . 0.0 112.719 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.16 -13.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.412 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 82.8 mt -48.52 -22.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -56.53 -62.69 1.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.37 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -42.19 -41.45 2.7 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.168 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.323 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 3.8 t80 -59.86 167.83 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.107 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.689 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 3.2 t90 80.27 -74.19 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.65 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.19 -40.79 95.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD23 ' OE1' ' A' ' 88' ' ' GLU . 31.4 mt -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.501 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.6 -44.15 84.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.776 0.322 . . . . 0.0 110.231 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.01 -54.54 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.329 0.585 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE1' HD23 ' A' ' 85' ' ' LEU . 2.4 pt-20 -61.64 -19.45 62.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 0.0 110.258 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp -65.3 -58.6 5.51 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.676 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.51 -34.39 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.362 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -58.66 -64.38 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 95' ' ' VAL . 88.6 tttt -61.91 -42.05 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 95' ' ' VAL . 60.2 tttt -62.95 -12.76 27.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.513 . . . . 0.0 110.743 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.33 -3.7 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.555 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 92' ' ' LYS . 95.8 t -44.36 -64.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.91 -178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.519 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 m-20 163.58 60.04 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 0.0 110.808 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.54 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.986 2.458 . . . . 0.0 112.238 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.59 -21.86 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.218 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.26 -44.91 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.39 -29.79 68.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.13 -48.35 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.701 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.97 -16.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.2 t . . . . . 0 C--N 1.332 -0.164 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.352 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -57.74 -43.88 85.67 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.3 -39.35 89.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.441 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -57.47 -37.45 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.146 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.14 -62.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.2 -47.18 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.571 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.52 -50.61 72.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.481 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.27 -40.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 0.0 110.361 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.66 -33.9 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -69.0 -40.9 78.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.17 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.5 mm? -64.71 -40.41 95.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -62.85 -43.21 99.4 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -57.55 -47.31 82.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.345 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.58 -52.91 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.709 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.26 -30.32 70.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.1 p -58.11 -48.15 81.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -58.98 -13.92 7.86 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.034 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 79.92 9.11 87.08 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.774 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.4 p -59.15 67.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 23' ' ' GLY . 15.6 ptmt 37.52 -170.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.388 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.3 t -112.81 99.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HE2' HD11 ' A' ' 32' ' ' LEU . 47.4 tttt -114.07 172.09 7.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.326 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 79.4 m-85 -103.18 130.97 50.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.042 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.85 -41.24 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.895 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 37.7 t0 -53.86 -52.19 61.23 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.522 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.5 -56.78 11.85 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.604 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD11 ' HE2' ' A' ' 27' ' ' LYS . 97.0 mt -53.99 -42.44 69.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -78.98 -48.16 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 81.2 t80 -56.32 -52.28 65.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.777 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.73 -50.85 67.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 m-20 -56.4 -54.63 43.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.816 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.36 -50.78 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.899 0.381 . . . . 0.0 111.05 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 34' ' ' PHE . 38.3 t -49.52 -55.29 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -65.77 -44.09 86.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 63.2 t0 -62.54 -67.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.238 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' NH2' ' A' ' 55' ' ' ARG . 95.8 mt -63.54 -42.51 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -120.71 79.07 30.69 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.295 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -79.89 -22.51 7.46 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.631 2.22 . . . . 0.0 112.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -120.88 2.18 10.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.281 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 71.7 m-85 -147.85 65.81 9.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.623 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.85 1.46 7.63 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.956 2.437 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -64.06 -46.44 84.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -105.25 -78.11 0.58 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.795 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 109.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -107.98 170.99 7.65 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -92.85 124.61 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.385 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 92.7 m-20 -136.91 138.93 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -94.55 -38.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.13 -43.32 82.7 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 41' ' ' ILE . 71.6 ttt180 -72.03 -65.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.442 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -44.57 -23.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.045 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 55' ' ' ARG . 65.5 ttp85 -74.52 -46.92 36.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.54 -50.71 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.024 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.32 -22.69 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.05 -45.03 86.39 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.3 t70 -71.42 -41.0 70.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.073 0.463 . . . . 0.0 110.93 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.19 -65.44 0.56 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.5 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -62.9 -46.52 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.42 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.59 -60.62 3.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.08 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.2 t0 -51.11 -23.74 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.038 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -84.19 -41.16 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.49 -42.96 99.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -70.56 -59.33 2.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -51.46 -17.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 81.2 t80 -85.53 4.26 36.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.82 73.81 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.7 157.52 24.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.964 2.443 . . . . 0.0 112.089 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -100.93 -4.54 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -119.63 28.17 8.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.14 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.3 p -46.21 102.72 0.32 Allowed Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 123.426 0.454 . . . . 0.0 109.946 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -81.6 146.65 15.24 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.549 2.166 . . . . 0.0 112.723 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.85 -24.08 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.522 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -48.32 -24.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.272 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.97 -62.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.293 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -48.31 -42.2 30.41 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.52 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 t -59.57 -42.11 91.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.1 m-85 -59.51 -178.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.703 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 67.18 -69.57 0.13 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.627 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' TYR . 71.8 m-20 -60.38 -41.16 93.21 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.201 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.451 HD23 ' CD ' ' A' ' 88' ' ' GLU . 19.1 mt -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.879 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.55 -45.49 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.214 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.64 -56.29 23.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.438 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -59.32 -20.5 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 -179.395 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.54 -54.4 32.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.7 tt -58.52 -31.91 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.826 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.71 -64.34 0.97 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.702 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.79 -39.66 85.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.18 -13.93 62.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -60.9 -6.51 1.85 Allowed 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.331 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.897 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -43.46 -64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.366 -177.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.897 ' H ' HG13 ' A' ' 95' ' ' VAL . 6.0 m-20 166.43 59.69 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 111.037 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.85 -161.64 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.772 2.315 . . . . 0.0 111.244 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -19.75 66.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.65 -46.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.009 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.436 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 87.2 mtp -72.15 -33.01 67.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.434 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -59.12 -50.56 73.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.35 -17.31 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.099 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' ALA . 11.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.689 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.945 0.402 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -72.88 -31.91 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.467 ' OE1' HG11 ' A' ' 95' ' ' VAL . 89.2 mt-30 -68.46 -44.6 74.5 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -58.95 -46.8 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.491 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.23 -56.62 9.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -52.52 -43.83 65.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -58.12 -59.1 5.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.613 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -42.15 -38.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.486 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.73 -32.74 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 11' ' ' TYR . 84.0 mt-30 -70.77 -45.88 63.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.35 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.0 mm? -60.42 -39.74 88.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.14 -40.54 97.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.83 -44.97 91.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.58 -57.88 9.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.702 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.7 -25.19 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.287 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -63.71 -33.57 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 71.5 p -70.65 -11.12 60.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.736 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -85.92 -1.47 57.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.51 3.38 88.79 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -66.01 149.15 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' VAL . 7.0 ptmt -50.47 -169.38 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -109.17 105.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -123.38 174.97 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' LEU . 93.0 m-85 -97.95 134.35 41.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.231 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.16 -44.36 11.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.417 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 30.1 t0 -53.38 -54.64 33.73 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.219 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.99 -61.57 2.3 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.727 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 28' ' ' TYR . 18.8 mt -49.97 -43.78 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -77.16 -50.54 12.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.343 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 52.3 t80 -48.69 -63.44 1.09 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.426 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.65 -50.25 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.29 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 97.3 m-20 -57.77 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.581 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ASP . 12.7 m-85 -57.27 -63.05 1.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.389 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' CYS . 72.2 t -42.62 -49.35 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -73.21 -21.29 60.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.2 t0 -80.93 -68.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.496 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -68.02 -42.24 85.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -117.84 75.9 10.56 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 111.344 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.64 -20.81 13.42 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.411 2.074 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.537 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 85.4 m95 -124.85 8.28 8.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.339 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 33.7 m-85 -150.87 63.53 5.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.55 3.33 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.044 2.496 . . . . 0.0 112.075 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.08 -48.15 81.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -112.89 -76.69 0.59 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.446 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 103.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.61 131.81 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 51' ' ' ILE . 2.7 pp -46.32 129.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.508 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -131.64 139.68 49.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 86' ' ' ILE . 48.8 mt -94.07 -38.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.445 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.78 -44.88 92.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ARG . 82.5 mtt85 -73.27 -65.17 0.84 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.898 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 43.4 t-105 -41.71 -28.13 0.13 Allowed 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 67.2 ttp85 -73.08 -47.79 41.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.753 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ARG . 87.1 mtm180 -64.31 -55.93 17.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.914 0.387 . . . . 0.0 111.044 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG11 ' OD2' ' A' ' 40' ' ' ASP . 73.7 t -69.64 -23.06 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.744 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.8 -48.1 51.23 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.7 t70 -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 110.616 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.8 m -52.63 -67.28 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -60.79 -45.49 94.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.747 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -64.58 -62.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.6 t0 -52.48 -25.02 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -84.34 -42.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -62.36 -42.35 99.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -69.37 -59.73 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -50.28 -23.0 2.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 87.5 t80 -79.71 4.04 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.66 75.2 0.22 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -78.45 160.79 28.7 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.052 2.501 . . . . 0.0 112.365 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -100.11 -5.98 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.33 33.53 5.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -45.92 102.12 0.29 Allowed Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.743 0.652 . . . . 0.0 110.238 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -82.51 144.92 12.97 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.907 2.405 . . . . 0.0 112.537 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.22 -20.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.7 mt -51.83 -22.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.327 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -57.83 -64.39 0.92 Allowed 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -42.17 -32.39 0.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -61.43 -35.44 77.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -53.52 165.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.616 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.2 t90 69.55 -57.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.41 -36.29 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 53' ' ' ILE . 18.0 mm -56.93 -45.14 83.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.412 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.6 tmtt? -67.71 -59.71 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.721 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.59 -19.99 12.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.96 -54.25 10.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.27 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.9 tt -54.76 -36.56 37.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 88.6 m-20 -59.36 -63.99 1.11 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.18 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.41 -10.84 8.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.09 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 95' ' ' VAL . 51.5 tttt -89.51 -10.34 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' ASN . 24.0 tp10 -47.97 -8.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 93' ' ' LYS . 3.4 p -45.26 -17.59 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.609 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 94' ' ' GLU . 6.3 m-80 81.68 64.55 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.486 0.491 . . . . 0.0 111.387 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 59.2 Cg_endo -90.57 -129.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.392 2.728 . . . . 0.0 111.873 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.423 ' H ' ' HB2' ' A' ' 97' ' ' PRO . 63.1 tp60 -72.7 -25.87 61.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.16 -43.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.313 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.5 mmm -73.38 -26.11 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.457 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -70.2 -47.65 60.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.243 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -12.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.252 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 101' ' ' ALA . 7.1 t . . . . . 0 CA--C 1.528 0.115 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -58.07 -43.94 87.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.07 -41.02 91.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.305 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -58.58 -38.05 77.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.995 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -59.4 -61.71 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -52.85 -43.57 66.14 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.2 -50.76 71.8 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.26 -36.68 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.263 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.95 -36.71 75.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.13 -42.84 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.221 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -61.35 -38.86 88.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.16 -47.79 82.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.57 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.804 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.651 ' O ' HG12 ' A' ' 24' ' ' VAL . 69.1 mt -57.84 -27.45 63.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.541 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.27 -31.59 72.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.689 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.3 p -74.27 -15.71 60.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -79.07 2.35 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 1.44 65.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 19' ' ' LEU . 4.4 p -67.34 154.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.867 0.365 . . . . 0.0 110.684 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 ptmt -54.42 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.532 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.55 105.21 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 85.8 tttt -125.92 148.31 49.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.463 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -71.54 134.25 46.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.01 -42.02 14.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.465 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -53.87 -54.63 35.91 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.037 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 11.2 mp -63.26 -59.39 4.8 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.351 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 49.7 tp -49.52 -45.05 46.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -77.96 -47.52 18.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.051 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 38' ' ' VAL . 69.1 t80 -55.21 -50.38 69.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.484 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.4 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.748 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -55.8 -56.06 25.0 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.01 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 41' ' ' ILE . 44.4 t80 -55.85 -62.8 1.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.915 0.388 . . . . 0.0 111.883 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.5 t -43.81 -59.11 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.432 -177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -65.65 -37.76 87.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.694 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -63.94 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 37' ' ' PHE . 2.2 mt -67.59 -43.08 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.251 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -115.87 78.94 7.56 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 121.107 0.48 . . . . 0.0 111.393 -179.384 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -79.46 -24.29 6.53 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.374 2.049 . . . . 0.0 112.03 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 4.4 m0 -122.95 5.59 9.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.386 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 11.3 m-85 -147.2 66.42 10.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.695 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -77.34 1.44 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.854 2.37 . . . . 0.0 111.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -62.85 -50.84 69.34 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -115.9 -78.79 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.133 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.88 104.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 p -97.83 163.24 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.488 HG21 ' HZ2' ' A' ' 93' ' ' LYS . 2.0 pp -80.53 131.99 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NE ' ' A' ' 55' ' ' ARG . 97.4 m-20 -135.31 140.52 45.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.3 mt -93.57 -41.09 12.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.422 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 -45.94 80.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ARG . 52.3 mtm-85 -71.95 -64.42 0.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.645 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -43.04 -25.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -73.47 -46.12 50.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ARG . 10.7 mmm-85 -64.24 -51.65 62.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.859 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.35 -23.71 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 0.0 110.351 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.8 -48.71 53.78 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 65' ' ' ASP . 27.7 t70 -65.79 -38.16 88.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.2 m -53.82 -67.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.855 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.49 -40.44 97.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.14 -62.56 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.939 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.2 t0 -53.85 -22.97 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -82.53 -42.17 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.695 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 62.6 t80 -64.12 -41.7 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -69.26 -59.95 2.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -50.27 -20.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.395 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.2 t80 -82.93 4.48 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.93 74.03 0.33 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 57.9 Cg_endo -78.82 158.72 27.83 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.954 2.436 . . . . 0.0 112.283 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -99.99 -4.02 30.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.62 31.97 5.75 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.306 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.685 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.7 p -47.02 102.91 0.33 Allowed Pre-proline 0 CA--C 1.532 0.264 0 O-C-N 123.389 0.431 . . . . 0.0 110.239 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.29 145.05 13.36 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.665 2.243 . . . . 0.0 112.769 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.8 p -75.81 -23.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.347 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -46.03 -19.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.403 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -60.49 -60.28 4.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.4 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -45.49 -41.11 9.2 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.402 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 p -62.15 -44.99 95.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.4 m-85 -54.2 178.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 13.5 t90 65.68 -64.53 0.19 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' TYR . 70.0 m-20 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 85' ' ' LEU . 82.1 mt -67.03 -34.13 77.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.858 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.39 -44.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.208 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -66.0 -56.69 10.34 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.594 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.6 -21.37 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.445 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.41 -55.0 13.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -53.76 -33.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.011 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 91.0 m-20 -58.55 -62.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.521 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . 96.9 mttt -64.17 -40.9 97.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.0 tttt -62.89 -15.44 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.176 0.512 . . . . 0.0 111.057 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 10.9 pt-20 -55.31 -3.68 0.07 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.947 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 93' ' ' LYS . 14.9 t -45.75 -69.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.02 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.521 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 27.9 t30 170.04 60.18 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.482 0 O-C-N 123.587 0.554 . . . . 0.0 110.647 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.3 Cg_endo -91.07 -158.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 123.448 2.765 . . . . 0.0 112.028 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.81 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.313 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.18 -44.33 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.179 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.01 -31.84 70.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.58 -47.63 69.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.749 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -16.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.8 t . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.501 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -61.46 -42.14 98.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.647 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.41 -37.47 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.04 -40.9 82.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.16 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.64 -62.7 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.28 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -50.49 -44.96 56.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.741 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.73 -52.65 63.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.739 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.1 -38.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.97 -38.28 79.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -63.93 -41.33 97.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.4 mm? -64.49 -40.01 94.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.725 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.09 -40.47 95.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' ' 21' ' ' THR . 86.4 mt-30 -57.77 -45.84 85.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.28 36.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.56 -32.94 73.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.027 0.442 . . . . 0.0 110.362 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -59.46 -27.34 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.62 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.8 p -72.33 -7.61 50.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -96.14 -11.72 25.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 76.96 3.67 81.32 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.787 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -60.01 66.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.4 ptmt 37.35 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.714 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 100.47 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' ' CD1' ' A' ' 32' ' ' LEU . 64.1 tttt -112.79 159.38 19.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.308 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -91.12 131.49 36.65 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.211 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.28 -41.11 13.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.686 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -52.73 -56.1 17.99 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.83 -59.07 5.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.377 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CD1' ' NZ ' ' A' ' 27' ' ' LYS . 1.7 tt -49.24 -46.0 45.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -77.08 -48.97 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.309 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 89.2 t80 -51.51 -64.19 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.811 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 21.4 t80 -57.14 -50.19 73.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.201 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 38.7 t0 -54.05 -57.88 9.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.372 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CE2' ' NE1' ' A' ' 56' ' ' TRP . 7.3 m-85 -62.69 -56.26 19.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.544 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' CYS . 14.7 t -46.8 -56.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.715 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -67.25 -44.22 79.97 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.402 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' HG11 ' A' ' 59' ' ' VAL . 37.1 t0 -60.82 -67.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.293 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -43.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.554 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.62 79.22 30.17 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.282 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.88 -19.73 9.47 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.484 2.122 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.5 m0 -121.99 -2.6 9.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.1 m-85 -142.83 65.84 16.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.421 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.17 3.06 4.9 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.983 2.456 . . . . 0.0 112.133 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -61.96 -51.28 68.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.08 -79.16 0.58 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.106 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.39 92.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -87.25 168.91 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.13 129.38 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.759 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -133.83 141.0 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.0 mt -93.21 -38.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.53 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' ARG . 79.8 mmt-85 -77.27 -64.93 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.732 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' NE1' ' CE2' ' A' ' 37' ' ' PHE . 33.1 t90 -42.22 -31.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -73.86 -44.54 55.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.022 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ARG . 90.5 mtt-85 -64.06 -54.34 35.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.141 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG11 ' OD1' ' A' ' 40' ' ' ASP . 76.7 t -73.48 -22.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.55 -45.69 58.44 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.7 t70 -70.9 -40.59 72.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.6 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.928 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.3 -45.07 89.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.397 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -66.25 -60.8 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 111.44 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ASP . 36.9 t0 -53.73 -31.51 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.346 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.25 -45.45 40.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.871 0.367 . . . . 0.0 110.96 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -63.82 -38.7 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.619 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.57 -61.06 2.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 39.9 m -46.29 -28.78 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.385 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.5 -52.65 56.78 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.538 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.25 69.03 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.5 Cg_endo -80.75 163.35 21.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.074 2.516 . . . . 0.0 112.307 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -100.92 1.24 39.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.015 0.436 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -126.4 27.59 6.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.716 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.2 p -45.85 102.51 0.3 Allowed Pre-proline 0 C--O 1.234 0.249 0 O-C-N 123.554 0.534 . . . . 0.0 110.315 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -81.47 149.95 16.89 Favored 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.674 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.44 -16.77 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.8 mt -48.73 -25.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.178 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.26 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.467 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -49.01 -42.88 39.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.5 p -59.17 -42.73 91.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.508 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.1 m-85 -57.42 -179.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.401 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.0 t90 65.4 -64.79 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.685 0.616 . . . . 0.0 110.527 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' TYR . 65.6 m-20 -61.32 -42.45 98.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.0 -36.0 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -56.28 -43.06 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.138 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.5 tmtt? -67.76 -57.15 6.81 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -59.4 -21.82 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.418 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.29 -55.72 12.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.86 -33.87 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.139 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.54 -63.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.3 mttt -63.15 -43.31 98.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 95' ' ' VAL . 58.3 tttt -61.67 -14.75 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.685 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.54 -4.14 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.522 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' LYS . 17.2 t -43.02 -66.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.683 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.539 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 p30 165.56 59.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.042 0.214 . . . . 0.0 110.781 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.7 Cg_endo -90.9 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 123.07 2.513 . . . . 0.0 112.427 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -61.23 -22.56 64.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.128 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.17 -44.77 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 50.6 mmm -66.84 -32.9 74.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.64 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -20.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.193 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.332 -0.19 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.262 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -61.21 -44.67 96.9 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.553 . . . . 0.0 110.175 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.19 -41.37 97.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.453 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -61.3 -39.35 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.306 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -52.57 -57.17 10.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.036 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -50.98 -43.84 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.322 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.34 -50.72 72.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.793 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -45.93 -36.29 2.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.31 -36.57 77.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.483 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.69 -41.24 83.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -63.44 -41.32 98.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.029 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -61.77 -40.68 96.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.271 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.75 -43.55 94.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -55.33 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 24' ' ' VAL . 92.1 mt -59.7 -26.34 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.169 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -63.3 -35.1 79.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -69.1 -16.34 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 85.2 mtp180 -84.38 -5.3 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.62 2.32 35.25 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.772 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.7 p -64.0 64.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLY . 19.2 ptmt 36.49 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.476 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.43 106.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.621 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -124.02 144.73 49.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -70.07 133.27 47.01 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.209 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.92 -41.3 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.361 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 6.9 t0 -53.73 -56.0 21.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.181 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.58 -60.37 3.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.292 0.37 . . . . 0.0 111.351 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.76 -44.29 18.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -74.79 -49.41 20.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.974 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.869 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.7 m-85 -51.15 -67.45 0.25 Allowed 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' CE1' ' NZ ' ' A' ' 39' ' ' LYS . 51.9 t80 -44.8 -62.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 111.383 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -57.78 -61.85 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' ASP . 2.6 t80 -54.26 -67.73 0.24 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 34' ' ' PHE . 4.9 m -42.56 -38.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.075 0.464 . . . . 0.0 111.073 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' NZ ' ' CE1' ' A' ' 35' ' ' PHE . 81.4 mttt -84.2 -21.41 31.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.324 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.5 t0 -70.99 -68.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.956 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' CE2' ' A' ' 37' ' ' PHE . 2.5 pt -90.94 -4.47 10.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -134.39 56.58 18.89 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.729 0.776 . . . . 0.0 110.698 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 46.8 Cg_endo -72.21 -21.03 24.02 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.239 1.959 . . . . 0.0 112.16 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -119.84 -1.83 10.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -143.27 69.73 17.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.569 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.8 -1.04 11.22 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 123.057 2.505 . . . . 0.0 112.117 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.71 -51.05 68.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -119.5 -79.56 0.6 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.61 96.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 p -84.06 165.24 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.316 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.48 132.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.663 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -139.49 142.12 37.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.517 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -93.56 -39.25 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.63 -45.38 83.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.023 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' ARG . 93.0 mtt180 -69.95 -65.39 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.295 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 56' ' ' TRP . 43.6 t90 -42.32 -27.37 0.14 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.741 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 62.1 ttm-85 -71.56 -46.72 58.65 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.521 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ARG . 96.4 mtt-85 -63.42 -54.28 39.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.425 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.77 -23.36 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 -47.0 53.04 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.0 t70 -71.51 -43.53 66.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.4 m -49.95 -65.6 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -62.48 -47.46 83.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.231 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.48 -61.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.403 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.0 t0 -51.54 -31.94 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -77.46 -43.06 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.95 -41.69 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -75.7 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.069 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.1 m -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.73 -54.46 26.9 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.597 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.496 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.03 68.95 0.19 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.496 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.5 Cg_endo -78.4 159.46 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.061 2.508 . . . . 0.0 112.35 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -102.27 -6.06 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -116.56 24.39 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.43 100.91 0.23 Allowed Pre-proline 0 CA--C 1.534 0.333 0 O-C-N 123.814 0.697 . . . . 0.0 110.041 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.83 147.65 17.14 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.859 2.373 . . . . 0.0 112.547 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.34 -20.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.483 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 84.6 mt -52.3 -22.41 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.61 -62.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -45.78 -43.55 13.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.483 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 17.6 m -57.5 -44.35 84.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.1 m-85 -57.29 -179.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.433 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.741 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 45.9 t90 67.79 -67.07 0.19 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.448 0.467 . . . . 0.0 110.507 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 40.7 m-20 -61.18 -40.44 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD23 ' CD ' ' A' ' 88' ' ' GLU . 35.0 mt -65.6 -35.35 80.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -57.93 -42.01 81.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.192 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -67.1 -59.2 3.66 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.623 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.57 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.5 pt-20 -59.18 -18.44 36.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.589 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.67 -54.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.682 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -58.25 -30.52 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.097 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.07 -64.8 0.81 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.043 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 95' ' ' VAL . 97.9 mttt -59.56 -41.47 90.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 95' ' ' VAL . 84.3 tttt -63.81 -14.99 57.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.32 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.66 -5.17 0.52 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.936 0.398 . . . . 0.0 110.692 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.5 t -44.69 -66.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.776 -177.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 7.3 t-20 168.34 62.01 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.474 0.654 . . . . 0.0 110.837 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.8 Cg_endo -91.46 -159.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.301 -1.929 0 C-N-CA 122.927 2.418 . . . . 0.0 112.139 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.24 -18.3 64.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.354 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.06 -44.28 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.347 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mtp -69.51 -29.13 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.474 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.43 -45.48 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.459 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -14.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.252 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.4 t . . . . . 0 C--O 1.224 -0.246 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.167 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -61.46 -40.79 95.8 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.54 -37.96 89.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.47 -40.58 95.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -49.65 -45.43 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.578 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -62.95 -51.7 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.07 -37.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.06 -37.18 75.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.8 mt-30 -66.4 -41.77 88.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.21 -39.74 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.089 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 86.2 mt-30 -58.11 -48.33 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 110.945 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.99 -54.94 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.87 -32.13 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.928 0.394 . . . . 0.0 110.618 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.76 -22.29 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.507 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' GLN . 68.8 p -87.47 -3.38 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.511 HH22 ' CB ' ' A' ' 81' ' ' SER . 89.2 mtt180 -91.85 10.39 28.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.798 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.28 -7.45 37.81 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -62.86 145.95 13.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.666 0.269 . . . . 0.0 110.532 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 24' ' ' VAL . 5.7 ptmt -52.37 -167.59 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.91 103.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.0 tttt -125.56 154.86 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.8 134.66 36.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.271 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -43.06 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.132 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.1 t0 -53.18 -56.21 18.21 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -61.03 2.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.007 0.432 . . . . 0.0 111.532 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 54.0 tp -47.99 -45.28 31.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -77.35 -49.26 15.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.917 0.389 . . . . 0.0 111.09 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.4 t80 -49.88 -61.09 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.537 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.18 -50.59 73.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -54.45 -60.76 2.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 56' ' ' TRP . 10.3 m-85 -61.2 -59.88 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.6 t -42.4 -52.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.9 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -65.15 -25.24 67.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.76 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' PHE . 56.6 t0 -85.95 -69.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.342 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 42' ' ' CYS . 1.5 pt -60.2 -43.09 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -122.82 79.97 49.42 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 121.299 0.571 . . . . 0.0 110.983 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -79.79 -23.23 7.03 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -119.55 1.15 11.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 68.2 m-85 -146.69 64.37 9.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -71.54 1.83 5.19 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.942 2.428 . . . . 0.0 112.201 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -63.77 -46.9 83.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -106.35 -79.02 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.76 117.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.66 149.37 45.52 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.76 132.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -135.44 144.42 46.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -97.18 -41.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.593 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.83 -46.69 71.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.928 0.394 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . 72.0 mmt-85 -70.93 -66.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.79 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 82' ' ' TYR . 1.3 t90 -42.12 -25.2 0.06 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -73.03 -45.17 59.19 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.14 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' ARG . 93.8 mtt-85 -64.15 -54.52 32.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -24.03 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.764 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -45.49 67.81 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.1 t70 -70.15 -42.84 71.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.991 0.424 . . . . 0.0 110.6 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -49.81 -65.01 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.78 -48.21 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.69 -61.31 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.193 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 61' ' ' ASP . 12.4 t70 -52.2 -30.4 27.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -77.26 -45.28 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.87 -40.6 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -77.68 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.6 m -45.05 -27.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.3 -53.44 43.93 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.598 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 123.53 68.75 0.22 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.508 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.8 Cg_endo -77.93 161.24 30.16 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.987 2.458 . . . . 0.0 112.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -101.48 0.52 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -124.17 27.91 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.88 101.06 0.24 Allowed Pre-proline 0 C--O 1.236 0.344 0 O-C-N 123.905 0.753 . . . . 0.0 109.866 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.75 153.71 17.52 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.775 2.317 . . . . 0.0 112.59 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.31 -9.9 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -50.64 -22.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.94 -61.79 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -44.78 -44.95 9.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.705 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.511 ' CB ' HH22 ' A' ' 22' ' ' ARG . 11.2 p -61.23 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 25.5 t80 -53.03 165.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.656 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 75.95 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.24 -41.14 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.32 -41.11 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.7 mm -55.37 -46.3 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.318 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.1 tmtt? -64.5 -58.04 7.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.184 0.516 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.559 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 26.9 tp10 -57.52 -26.95 62.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.532 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 15' ' ' LEU . 9.0 mt -65.45 -55.97 15.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 87' ' ' LYS . 5.8 tt -51.81 -35.48 17.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -57.71 -62.84 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.224 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.559 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 60.8 mttp -63.08 -38.63 91.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.588 ' C ' ' H ' ' A' ' 95' ' ' VAL . 40.0 tttt -56.02 -15.2 3.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 96' ' ' ASN . 47.9 mm-40 -45.93 -7.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.588 ' H ' ' C ' ' A' ' 93' ' ' LYS . 58.1 t -43.8 -17.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.552 ' H ' ' HD3' ' A' ' 97' ' ' PRO . 0.3 OUTLIER 88.09 63.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 O-C-N 123.877 0.736 . . . . 0.0 111.271 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.552 ' HD3' ' H ' ' A' ' 96' ' ' ASN . 17.7 Cg_endo -89.75 -147.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 123.123 2.549 . . . . 0.0 112.036 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.72 -29.13 70.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.332 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.4 t -51.52 -45.95 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 71.8 mmm -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -66.53 -53.66 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.455 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.99 -16.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.114 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.956 0.407 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -57.49 -45.59 84.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.15 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -60.78 -35.17 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.241 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.78 -62.59 1.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.035 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -51.27 -43.84 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.023 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 92' ' ' LYS . 5.2 m-85 -60.98 -51.83 67.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.4 t -47.35 -41.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.194 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -70.95 -35.37 72.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -68.84 -43.4 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.05 -40.74 98.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.879 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.29 -38.37 89.1 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.952 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' THR . 85.7 mt-30 -62.51 -41.99 99.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.626 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -58.29 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.62 -26.09 66.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 110.031 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -64.74 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLN . 56.5 p -70.24 -4.82 23.6 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.901 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.56 4.74 51.88 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.585 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.83 0.29 84.52 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p -63.6 145.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.358 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.7 ptmt -53.82 -164.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.43 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.71 101.2 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' CE ' HD11 ' A' ' 32' ' ' LEU . 66.6 tttt -123.61 166.53 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.396 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -91.04 131.28 36.73 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.134 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.62 -41.65 13.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.796 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.7 t0 -53.63 -50.45 65.68 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.449 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.45 -57.47 11.13 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.399 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CE ' ' A' ' 27' ' ' LYS . 17.4 mt -57.17 -44.13 83.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.354 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 72.5 tttt -74.27 -51.89 13.94 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 38' ' ' VAL . 70.3 t80 -52.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.439 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.93 -60.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.18 -58.15 9.89 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' ' NE1' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -56.56 -62.88 1.42 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.067 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 34' ' ' PHE . 5.2 m -51.52 -37.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.894 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 38' ' ' VAL . 61.0 mttp -81.31 -22.35 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.205 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 66.6 t0 -78.28 -66.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.051 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' H ' ' A' ' 52' ' ' ASP . 94.8 mt -64.52 -43.14 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.574 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.93 78.97 16.77 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.311 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.67 -18.8 10.36 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.494 2.129 . . . . 0.0 112.268 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.474 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-90 -120.14 1.3 10.83 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.385 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 8.4 m-85 -151.27 63.16 5.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.6 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.51 2.79 6.49 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.251 2.634 . . . . 0.0 112.174 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -66.51 -42.81 86.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' GLY . 28.1 tt0 -123.12 10.31 9.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.155 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . -28.14 106.6 0.01 OUTLIER Glycine 0 N--CA 1.469 0.869 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 p -97.43 170.35 9.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -90.58 132.93 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' CG ' HH11 ' A' ' 55' ' ' ARG . 95.0 m-20 -137.83 141.71 40.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.276 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.3 -42.07 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.12 -46.77 76.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.485 HH11 ' CG ' ' A' ' 52' ' ' ASP . 36.8 mtm-85 -70.17 -63.96 0.98 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.616 ' NE1' ' CE1' ' A' ' 37' ' ' PHE . 50.3 t90 -43.99 -30.52 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.92 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.08 -46.29 62.14 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.515 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -63.61 -52.67 59.87 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.061 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 61.9 t -73.32 -22.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.71 -47.71 59.98 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.3 t70 -69.81 -39.61 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.785 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.8 m -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.653 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -63.71 -43.96 95.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.09 -61.02 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.1 t0 -50.92 -25.18 4.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -84.13 -42.43 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.688 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -61.51 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' PHE . 34.8 t30 -69.81 -59.97 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -49.42 -16.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.204 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 70' ' ' PHE . 87.9 t80 -86.8 6.53 31.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.78 72.26 0.54 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.2 160.45 29.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.858 2.372 . . . . 0.0 112.167 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -100.7 -6.42 25.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -119.03 31.35 6.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.036 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -47.15 102.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.41 144.05 12.67 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.417 2.078 . . . . 0.0 113.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -27.68 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.43 -23.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.322 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.26 -62.19 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.051 0.453 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -46.52 -40.69 13.01 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.557 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 p -59.52 -44.19 93.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.672 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' ASN . 9.8 m-85 -57.16 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 47.1 t90 64.0 -67.59 0.1 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' TYR . 33.3 m-80 -60.62 -42.1 96.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.465 . . . . 0.0 110.384 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.54 -33.41 75.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.615 179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -58.11 -42.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tttt -65.42 -55.13 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.009 -0.677 . . . . 0.0 110.634 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -61.51 -23.65 66.07 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.39 -52.03 44.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.074 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.3 tt -53.92 -36.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 0.0 109.582 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -57.55 -55.44 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.263 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 98.2 mttt -60.69 -37.83 82.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.185 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' VAL . 13.3 mmtt -59.61 -15.74 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.982 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.07 -10.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.513 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 10.3 t -49.43 -66.26 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.971 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.472 ' OD1' ' SD ' ' A' ' 100' ' ' MET . 5.2 m-20 160.49 66.59 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 121.187 0.517 . . . . 0.0 109.918 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -93.69 -167.31 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 123.496 2.797 . . . . 0.0 112.013 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.49 -23.91 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.175 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -59.48 -43.48 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.996 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.472 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 63.3 ttp -65.92 -34.32 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.219 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.42 78.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.14 -20.47 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.414 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.327 -0.385 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.32 179.175 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -57.16 -44.73 83.73 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.075 0.464 . . . . 0.0 110.44 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -62.93 -36.98 85.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.62 -41.36 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.153 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.54 -62.63 1.74 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.307 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -47.17 -45.98 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.463 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.92 -50.2 74.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.077 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -44.99 -39.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.15 -39.56 82.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.72 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.72 -41.43 97.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.036 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.65 -40.46 95.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -56.61 -46.9 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.799 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.47 -32.66 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.554 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -59.42 -31.25 69.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.803 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 17' ' ' GLN . 66.8 p -74.14 -9.99 59.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.803 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -89.32 -5.21 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.07 2.3 52.3 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.3 p -63.8 64.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.5 ptmt 34.8 -162.94 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.546 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.9 t -110.57 97.8 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.517 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' CE ' HD11 ' A' ' 32' ' ' LEU . 83.5 tttt -119.57 146.91 45.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -75.68 133.58 40.77 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.511 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.08 -42.74 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.562 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 64.6 t0 -46.73 -48.87 20.29 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.993 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.53 -60.53 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 ' CE ' ' A' ' 27' ' ' LYS . 89.6 mt -47.22 -47.94 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.641 -179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.61 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 21.9 mmtt -74.78 -48.24 26.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.765 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 t80 -51.77 -64.33 0.85 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.28 -50.91 71.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.395 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 19.7 t0 -51.34 -60.31 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.557 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 3.4 m-85 -64.06 -50.45 68.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.702 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.9 t -48.09 -60.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.96 -45.08 83.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 6.3 t0 -60.84 -69.1 0.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.305 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 50' ' ' THR . 91.7 mt -62.41 -42.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -121.62 79.78 39.11 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-O 121.406 0.622 . . . . 0.0 110.909 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -81.27 -23.74 4.98 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.613 2.208 . . . . 0.0 112.561 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -119.51 -4.14 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -143.74 73.06 17.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 2.52 8.18 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.343 2.695 . . . . 0.0 111.927 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -64.42 -48.91 73.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -102.18 -79.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.707 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.32 118.39 0.07 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.2 p -122.07 167.74 12.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.757 0.313 . . . . 0.0 110.488 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -90.83 124.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.472 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -136.1 139.1 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.954 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 86' ' ' ILE . 76.3 mt -93.85 -38.46 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.728 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -45.54 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 110.562 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 57' ' ' ARG . 36.9 ttm180 -68.05 -65.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.481 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -42.5 -25.36 0.08 Allowed 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.073 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -74.19 -46.14 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.933 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.8 mtp85 -63.67 -51.61 64.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.26 -22.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.3 -47.75 56.32 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 65' ' ' ASP . 16.8 t70 -67.91 -41.2 83.0 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.663 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -51.25 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.815 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.18 -46.61 88.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.93 -62.43 1.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.033 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.6 t0 -51.32 -25.0 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.479 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -82.42 -42.69 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 79.6 t80 -61.51 -42.38 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.425 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -70.13 -58.85 3.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -51.14 -19.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.0 t80 -81.39 3.41 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.78 72.41 0.55 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.2 Cg_endo -77.34 159.24 32.99 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 123.016 2.477 . . . . 0.0 112.288 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -102.12 -3.96 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -121.07 30.22 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -46.35 102.68 0.32 Allowed Pre-proline 0 C--O 1.235 0.34 0 O-C-N 123.709 0.631 . . . . 0.0 110.125 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.91 152.27 16.74 Favored 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 122.921 2.414 . . . . 0.0 112.601 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -79.34 -7.28 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.04 -20.89 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.456 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -63.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -43.76 -44.38 6.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.531 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -60.58 -43.43 97.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -55.71 164.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.12 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.71 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.1 t90 78.84 -65.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.9 -41.83 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD23 ' CD ' ' A' ' 88' ' ' GLU . 79.8 mt -65.9 -41.02 92.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG12 ' A' ' 53' ' ' ILE . 20.9 mm -50.63 -51.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.715 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.59 -53.92 47.32 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.25 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.2 pt-20 -57.67 -25.81 60.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.74 -59.91 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 5.7 tt -53.59 -36.86 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.609 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.416 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 85.5 m-20 -58.34 -65.21 0.69 Allowed 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.498 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.66 -15.55 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 95' ' ' VAL . 8.2 mtpt -89.21 -11.66 43.05 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -51.86 -11.08 0.13 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -47.63 -66.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -178.714 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.447 ' H ' HG23 ' A' ' 95' ' ' VAL . 2.1 p30 166.32 66.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 37.4 Cg_endo -91.48 -164.96 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.165 2.577 . . . . 0.0 112.086 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.77 -26.37 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.203 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.89 -43.23 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.044 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.5 ttm -66.09 -35.63 81.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.076 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.89 75.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -20.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.107 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.528 0.106 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.292 179.508 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -58.9 -44.3 91.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.424 HE22 ' HB ' ' A' ' 95' ' ' VAL . 57.6 tt0 -61.9 -37.9 86.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.16 -39.61 79.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.26 -64.34 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -46.54 -47.98 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.4 m-85 -61.54 -53.51 55.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.527 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -42.75 -40.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.13 -37.52 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -64.87 -44.31 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -62.07 -40.26 95.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.56 -43.6 96.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' THR . 86.6 mt-30 -56.78 -44.68 82.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.24 48.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' CD2' ' NH2' ' A' ' 22' ' ' ARG . 53.6 mt -65.09 -31.92 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.85 -27.54 66.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' GLN . 63.2 p -79.82 -4.46 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH2' ' CD2' ' A' ' 19' ' ' LEU . 97.3 mtt180 -95.42 -2.23 49.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 71.56 -2.34 23.23 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.836 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -63.26 67.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.629 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.3 ptmt 35.02 -167.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.571 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.76 106.71 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.546 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD3' HD22 ' A' ' 32' ' ' LEU . 79.3 tttt -117.87 154.98 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.0 133.73 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.23 -39.86 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.531 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.6 t70 -52.64 -59.26 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.91 -61.02 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' HD3' ' A' ' 27' ' ' LYS . 58.3 tp -45.65 -46.47 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -77.68 -49.43 14.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 38' ' ' VAL . 63.3 t80 -49.88 -62.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.71 -52.77 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' OD2' ' C ' ' A' ' 36' ' ' ASP . 62.5 t0 -51.76 -60.53 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.74 -52.28 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.635 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 34' ' ' PHE . 48.8 t -47.81 -59.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -66.4 -43.32 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -60.72 -71.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.14 -42.82 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.99 80.2 34.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 -178.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.19 -19.92 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.81 2.34 . . . . 0.0 112.096 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -125.42 -2.92 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -140.78 68.77 30.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -77.18 2.42 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.789 2.326 . . . . 0.0 112.1 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.11 -51.72 66.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -121.63 -83.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 102.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -86.47 168.34 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.556 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -87.97 128.33 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -133.85 140.9 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -91.34 -33.99 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.75 -45.08 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.531 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 58' ' ' ARG . 78.8 mtp85 -71.01 -68.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.459 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 14.9 t90 -38.36 -27.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttp180 -74.86 -45.69 41.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 55' ' ' ARG . 99.6 mtt180 -63.85 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.0 -25.04 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -45.4 79.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASP . 23.8 t70 -70.2 -40.84 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.19 -67.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.56 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -63.64 -62.06 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.4 t0 -53.8 -23.49 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -83.77 -43.43 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 69.3 t80 -62.54 -38.67 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -72.99 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -50.95 -18.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 88.9 t80 -84.94 4.2 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.0 75.0 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.8 Cg_endo -79.65 164.83 23.11 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.733 2.289 . . . . 0.0 112.162 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -100.6 -3.02 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -127.8 33.41 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.599 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.3 p -44.57 102.22 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -82.15 141.97 11.93 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.858 2.372 . . . . 0.0 112.134 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.07 -19.3 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -47.36 -21.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.586 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.92 -61.58 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -46.51 -42.52 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -59.83 -43.76 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.2 m-85 -56.55 177.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.62 -65.95 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 78.6 m-20 -61.17 -41.5 96.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD23 ' CD ' ' A' ' 88' ' ' GLU . 45.4 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.65 -43.03 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.2 tmtt? -67.49 -60.44 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.592 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -58.43 -18.67 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.22 -55.51 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -52.56 -33.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.57 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -62.85 -40.94 99.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 95' ' ' VAL . 61.7 tttt -65.94 -15.35 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.25 -1.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.608 ' H ' ' C ' ' A' ' 93' ' ' LYS . 5.4 t -42.1 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.578 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.4 p30 165.63 60.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.9 Cg_endo -90.32 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.81 2.34 . . . . 0.0 112.112 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -61.59 -18.54 59.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.545 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.83 -44.35 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 74.8 mtp -69.86 -31.96 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.24 -53.7 40.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.06 -22.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -55.35 -38.29 68.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.382 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.48 -39.59 92.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -55.99 -38.25 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.099 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -65.3 -64.54 0.84 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.202 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -46.0 -48.45 16.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.24 -51.67 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.77 -41.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.329 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -66.01 -37.2 85.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.28 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -66.23 -42.48 88.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -61.92 -39.49 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.0 -42.37 99.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 21' ' ' THR . 88.7 mt-30 -55.32 -50.95 68.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.963 0.411 . . . . 0.0 110.633 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -56.72 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.043 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.85 -36.16 80.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.63 -16.54 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 17' ' ' GLN . 26.2 p -85.53 -3.81 58.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.289 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -93.4 1.54 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.664 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.27 0.25 89.57 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -62.64 147.81 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.402 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' VAL . 3.2 ptmt -53.53 -168.22 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.676 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.17 101.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HE2' HD13 ' A' ' 32' ' ' LEU . 39.6 tttp -125.91 144.63 50.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.365 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.49 136.39 45.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.58 -41.59 13.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.534 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 24.4 t0 -54.48 -55.8 25.32 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.748 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.23 -60.65 3.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD13 ' HE2' ' A' ' 27' ' ' LYS . 57.7 tp -48.33 -44.5 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -78.71 -49.37 13.21 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.071 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 84.5 t80 -51.66 -59.13 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.605 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -52.19 66.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.709 0.29 . . . . 0.0 110.855 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 98.4 m-20 -54.44 -59.57 4.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.076 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.53 -58.86 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.452 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 50.4 t -43.64 -59.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.71 -43.55 96.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.517 ' OD2' HG11 ' A' ' 59' ' ' VAL . 67.4 t0 -62.15 -70.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.96 -41.66 89.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.92 81.15 34.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 111.127 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -82.99 -20.8 5.05 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 122.81 2.34 . . . . 0.0 112.432 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -117.02 -6.8 11.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.986 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 10.7 p90 -148.16 76.71 10.23 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -80.47 4.3 6.98 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.257 2.638 . . . . 0.0 112.092 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.62 -50.81 67.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.559 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -101.29 -78.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.298 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.17 104.34 0.05 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -105.6 169.82 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pp -90.71 123.45 42.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -131.26 141.67 50.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mt -91.83 -37.28 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.4 -47.95 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 83.6 mtp180 -69.46 -66.88 0.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.644 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -41.6 -28.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -74.87 -45.48 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.712 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' ARG . 44.0 ttm180 -64.86 -54.84 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 -178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 ' OD2' ' A' ' 40' ' ' ASP . 62.0 t -73.27 -24.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -43.03 92.23 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.2 t70 -71.18 -38.86 72.12 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.344 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.3 m -50.46 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -63.37 -46.13 87.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -62.78 -61.82 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.5 t0 -52.7 -21.49 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -85.42 -41.4 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.98 -40.43 96.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.266 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -71.66 -57.2 4.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 25.9 m -52.95 -16.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 77.5 t80 -85.51 3.13 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.774 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.16 71.16 0.77 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.99 159.33 30.67 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 111.996 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -101.16 1.54 39.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -126.61 26.97 6.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.615 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.0 p -43.98 100.8 0.23 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.284 0.564 . . . . 0.0 110.125 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.6 150.95 19.34 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.962 2.441 . . . . 0.0 112.505 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.1 -5.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.438 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.0 mt -52.47 -24.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -61.59 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -43.79 -46.91 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -59.38 -45.17 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -55.06 163.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.423 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.637 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t90 79.18 -64.69 0.23 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -61.45 -42.99 99.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.628 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.67 -41.23 98.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -52.53 -47.21 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.524 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.5 tmtp? -67.1 -59.37 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.729 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -54.98 -24.86 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.765 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.71 -55.39 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.333 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -53.01 -35.82 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.481 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 84.9 m-20 -59.39 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.365 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.819 ' O ' HG23 ' A' ' 95' ' ' VAL . 66.0 mmtt -53.02 -33.92 53.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.493 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 95' ' ' VAL . 5.1 mmtt -61.33 -21.71 64.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -45.68 -13.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.953 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 92' ' ' LYS . 60.7 t -46.51 -68.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.736 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.52 ' CG ' HG12 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 165.79 65.34 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.218 0.532 . . . . 0.0 110.592 178.477 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -92.06 -170.38 0.31 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 123.418 2.745 . . . . 0.0 112.307 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -67.61 -24.98 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.08 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -44.54 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.502 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mtp -71.38 -33.08 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.184 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -62.32 -51.23 68.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.148 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.18 -16.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.978 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.3 t . . . . . 0 N--CA 1.463 0.21 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.419 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.835 0.35 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -60.59 -40.16 90.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.56 -39.02 88.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.4 -39.05 89.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.36 -62.95 1.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -48.02 -44.64 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.98 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -44.56 -37.49 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.45 -37.43 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.9 -40.85 91.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.4 mm? -63.56 -40.21 96.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.58 -40.43 94.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.53 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -58.01 -45.8 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.62 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -62.34 -33.84 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.82 -26.83 64.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.562 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 17' ' ' GLN . 43.1 p -80.73 -8.3 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -87.69 2.2 51.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 0.46 87.09 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -63.22 146.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.6 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.2 ptmt -53.46 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.68 100.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.57 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 32' ' ' LEU . 82.3 tttt -121.78 148.34 44.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -74.09 132.1 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.65 -40.94 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.9 t70 -52.97 -56.91 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.33 -59.69 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' A' ' 27' ' ' LYS . 52.2 tp -47.19 -44.99 22.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -78.24 -50.58 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.9 t80 -49.8 -63.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.583 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.06 -52.55 65.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -52.91 -59.89 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.46 -53.86 48.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 52.5 t -45.84 -58.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -65.2 -42.77 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' HG11 ' A' ' 59' ' ' VAL . 54.7 t0 -62.13 -71.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.23 -43.92 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.99 81.62 27.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 -178.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.24 -19.78 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.808 2.338 . . . . 0.0 112.066 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.72 -1.11 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.71 68.54 19.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -77.27 1.83 8.32 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.859 2.372 . . . . 0.0 112.036 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.75 -52.89 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -121.79 -81.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.85 98.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 p -80.47 170.02 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.99 130.47 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 99.9 m-20 -133.46 142.79 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.5 mt -91.02 -33.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.31 -48.16 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' ARG . 84.4 mtt85 -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ARG . 59.6 t-105 -37.91 -34.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -74.29 -42.89 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' ARG . 41.4 ttm180 -65.69 -58.6 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD2' ' A' ' 40' ' ' ASP . 58.6 t -69.34 -23.44 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.36 -46.14 65.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -69.26 -37.55 77.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.8 m -52.99 -67.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.2 -44.79 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -64.25 -63.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ASP . 21.9 t0 -54.36 -20.0 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.597 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -86.46 -41.67 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 84.3 t80 -62.75 -38.9 92.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.73 -57.46 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.1 m -50.52 -17.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 89.5 t80 -84.15 2.82 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.96 67.87 1.99 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.444 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.5 Cg_endo -77.77 160.02 31.19 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.844 2.363 . . . . 0.0 112.115 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -100.89 1.93 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -127.07 29.85 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.64 102.57 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.12 143.99 13.07 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.842 2.361 . . . . 0.0 112.062 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 77' ' ' VAL . 14.9 p -78.81 -11.15 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.67 -22.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.536 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.33 -63.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.538 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -47.54 -42.51 23.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -58.84 -45.23 90.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.6 m-85 -54.62 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.632 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 44.7 t90 64.06 -63.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 82' ' ' TYR . 44.1 m-20 -61.45 -41.04 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 88' ' ' GLU . 84.8 mt -68.49 -34.18 75.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.0 mm -56.71 -42.21 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -66.69 -61.33 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.49 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.25 -18.01 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.07 -54.15 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.4 tt -55.13 -29.13 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -64.07 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.507 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -61.21 -42.18 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.592 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.7 tttt -62.6 -16.97 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.73 -2.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.1 t -43.9 -69.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.613 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t30 168.77 59.56 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.613 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.7 Cg_endo -90.84 -156.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.703 2.269 . . . . 0.0 112.155 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -62.24 -20.44 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.12 -44.7 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtp -67.42 -31.7 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.47 -50.82 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.03 -20.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.813 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.729 0.3 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -59.12 -41.42 88.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.73 -38.84 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.556 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.19 -36.99 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.71 -65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -46.0 -47.9 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.2 m-85 -61.4 -51.51 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.611 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -44.07 -36.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -68.06 -39.06 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.5 mt-30 -64.02 -42.49 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.38 -40.29 96.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.325 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.77 -44.64 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' THR . 84.8 mt-30 -56.68 -43.67 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.69 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.22 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.44 -21.68 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' GLN . 62.1 p -87.67 -2.12 58.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -92.93 7.89 42.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.515 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.0 -3.03 58.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -65.85 148.53 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.609 -179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 ptmt -52.49 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.37 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 80.9 tttt -122.53 154.48 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.27 133.33 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.528 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -42.44 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 53.5 t0 -52.23 -57.49 9.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.055 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.02 -60.55 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -178.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 58.0 tp -46.71 -45.49 19.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -78.52 -51.18 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.3 t80 -49.61 -61.94 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -52.21 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 61.2 t0 -52.41 -59.55 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -178.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -62.95 -55.4 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -178.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.8 t -42.92 -62.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 -179.187 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -63.33 -46.55 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.578 ' OD1' HG11 ' A' ' 59' ' ' VAL . 63.2 t0 -57.56 -71.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 50' ' ' THR . 87.3 mt -62.69 -43.16 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.99 80.02 25.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 -179.267 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.01 -20.03 6.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.818 2.345 . . . . 0.0 112.102 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -120.41 -10.56 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -139.46 73.55 35.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 -178.753 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.14 3.04 7.97 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.805 2.337 . . . . 0.0 112.162 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.61 -51.53 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -101.41 -77.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.99 114.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -126.93 161.78 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.906 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.49 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.572 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -135.39 141.2 45.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.71 -39.45 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -178.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.05 -47.74 70.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.7 mtt180 -68.03 -67.31 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 72.2 t-105 -38.48 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.602 179.11 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.9 ttt-85 -72.0 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 60.2 ttp180 -67.5 -56.5 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.509 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.578 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.3 t -68.08 -26.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.72 83.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.1 t70 -68.05 -38.82 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 0.0 110.569 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.4 m -51.56 -68.15 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.506 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.94 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.76 -62.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.7 t0 -51.34 -23.01 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.566 -179.103 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.13 -45.33 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.86 -43.13 90.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -71.11 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.565 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -51.43 -17.47 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 85.0 t80 -84.55 2.22 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.28 73.88 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -79.26 161.35 25.99 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.784 2.323 . . . . 0.0 112.138 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -102.62 -3.13 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -125.22 33.62 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.6 p -44.72 101.86 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -83.4 148.1 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.8 2.333 . . . . 0.0 112.151 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 p -76.26 -15.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.0 mt -45.93 -22.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -43.06 -44.05 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 p -61.52 -43.22 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CD2' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -58.08 163.97 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.68 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.734 ' N ' ' CD2' ' A' ' 82' ' ' TYR . 1.5 t90 79.47 -68.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.12 -41.25 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.3 mm -54.34 -44.71 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.551 -178.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.8 tttt -66.34 -61.02 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.582 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -55.73 -22.83 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.55 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.1 -57.25 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.516 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.55 -30.41 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -63.9 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.564 -179.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.3 mttm -58.83 -42.16 88.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 178.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.7 tttt -60.22 -17.98 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -54.62 -6.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 98.4 t -41.0 -67.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -178.578 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.582 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 164.86 60.9 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 178.653 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.75 -160.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.86 2.373 . . . . 0.0 112.139 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -62.97 -21.12 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.49 -44.42 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.1 mmm -69.77 -29.55 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.75 -49.37 59.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.24 -17.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.732 0.301 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -61.15 -36.28 79.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.72 -41.95 74.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.429 ' CD2' HG23 ' A' ' 12' ' ' VAL . 11.8 t-160 -57.75 -36.98 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.5 -64.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -49.13 -46.3 44.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.287 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.3 m-85 -61.55 -53.79 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -43.52 -37.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.9 -37.25 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.6 mt-30 -65.83 -41.92 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.66 -40.22 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.49 -41.32 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.688 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.24 -47.67 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.57 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.98 -34.66 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.324 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -59.53 -22.57 61.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 17' ' ' GLN . 18.3 p -80.04 -5.44 55.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -91.85 -2.11 57.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.16 1.21 90.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -61.7 147.14 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.378 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.2 ptmt -53.29 -167.68 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.7 t -104.91 100.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.573 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CE ' HD22 ' A' ' 32' ' ' LEU . 84.6 tttt -120.61 149.24 42.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -76.68 132.25 39.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.83 -42.03 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.144 0.497 . . . . 0.0 110.975 179.32 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.9 t0 -53.1 -56.34 16.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.945 -178.167 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.05 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -178.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 27' ' ' LYS . 47.0 tp -46.46 -44.84 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -79.29 -49.19 12.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.398 -178.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.6 t80 -53.09 -56.4 16.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.728 -178.63 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.77 -54.54 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 99.3 m-20 -51.45 -56.65 12.1 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -178.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.83 -52.83 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 34' ' ' PHE . 29.0 t -49.3 -58.86 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -66.09 -44.8 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 65.8 t0 -60.29 -69.84 0.2 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.95 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 50' ' ' THR . 96.5 mt -62.02 -42.02 93.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.274 -179.492 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -122.97 80.07 50.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 -179.421 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -81.03 -19.01 8.52 Favored 'Trans proline' 0 C--N 1.303 -1.859 0 C-N-CA 122.836 2.357 . . . . 0.0 112.163 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -120.16 -2.31 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 65.4 m-85 -146.34 73.11 13.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.722 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.2 3.17 6.92 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.977 2.452 . . . . 0.0 112.348 -179.433 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -119.83 -79.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.31 92.28 0.05 OUTLIER Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 41' ' ' ILE . 6.5 p -84.16 163.73 19.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 110.525 179.626 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -78.4 126.74 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -129.24 141.73 51.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.41 -36.8 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.92 -48.96 69.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' ARG . 96.0 mtt-85 -69.74 -66.85 0.54 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 65.6 t-105 -39.77 -33.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.128 -179.114 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 76.6 ttt180 -75.26 -43.47 51.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.0 ttm-85 -64.58 -58.4 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.24 -22.38 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -43.65 70.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.2 t70 -71.37 -39.51 71.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.888 0.375 . . . . 0.0 110.686 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -51.36 -66.22 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.7 -46.75 86.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.23 -63.09 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' ASP . 31.1 t0 -53.99 -20.3 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -85.54 -41.92 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.78 -38.64 91.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -73.0 -54.71 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.2 m -50.41 -18.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.2 t80 -85.11 3.25 39.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.42 67.25 2.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.69 161.7 33.52 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.828 2.352 . . . . 0.0 112.324 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -102.31 3.5 38.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 179.095 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -126.2 26.1 6.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.732 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.2 p -46.43 103.24 0.34 Allowed Pre-proline 0 N--CA 1.455 -0.211 0 CA-C-O 121.3 0.572 . . . . 0.0 110.452 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -80.86 149.43 17.97 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.748 2.298 . . . . 0.0 112.51 -179.025 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.3 p -79.98 -13.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.477 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.405 ' O ' ' OG ' ' A' ' 81' ' ' SER . 60.8 mt -50.43 -23.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -178.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -62.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -178.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -48.81 -44.4 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.532 -179.468 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 71.3 p -59.56 -39.64 84.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.653 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.6 OUTLIER -60.41 -176.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.54 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 54.2 t90 63.16 -63.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 82' ' ' TYR . 55.1 m-20 -60.94 -42.71 98.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.39 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD23 ' CD ' ' A' ' 88' ' ' GLU . 80.0 mt -66.53 -35.57 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.648 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.46 -41.49 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.28 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -68.14 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.62 -19.31 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.395 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -69.93 -55.26 10.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 87' ' ' LYS . 10.4 tt -54.06 -34.34 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.496 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 94.5 m-20 -59.44 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -60.33 -41.47 93.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.478 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.558 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.0 tttt -64.59 -15.13 60.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -54.15 -4.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.9 t -43.69 -70.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.978 -177.488 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.621 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 t30 170.94 58.9 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.2 Cg_endo -91.0 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.85 0 C-N-CA 122.694 2.262 . . . . 0.0 112.0 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.91 -26.1 67.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -43.9 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.41 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.7 -34.26 75.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.524 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -51.95 60.5 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.6 -19.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.455 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.262 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.818 0.342 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -60.0 -44.1 94.75 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.364 0.602 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.106 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.36 -42.47 87.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 109.977 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -50.45 -58.94 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -51.31 -43.77 61.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.579 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.28 -51.19 70.36 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.356 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.0 -37.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.65 -43.97 65.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -65.61 -39.77 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.221 0.534 . . . . 0.0 110.822 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.58 -40.47 97.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.68 -37.12 85.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.135 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.25 -44.9 94.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.43 58.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 24' ' ' VAL . 47.8 mt -65.39 -27.07 68.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.564 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.95 -27.78 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.539 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.2 p -83.01 -4.77 58.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' VAL . 97.0 mtt-85 -89.62 7.23 37.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.559 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 66.29 -5.13 2.27 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 24' ' ' VAL . 9.2 p -63.36 61.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' GLY . 16.3 ptmt 35.19 -161.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.452 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -112.29 101.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.525 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -115.42 148.45 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.41 135.04 35.64 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.637 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.84 -32.24 19.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.327 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 31.9 t0 -52.6 -60.15 3.6 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -177.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.97 -61.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.574 0.546 . . . . 0.0 111.844 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.9 tp -44.76 -49.71 10.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.023 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -72.67 -46.58 53.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.6 m-85 -50.06 -65.16 0.61 Allowed 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.358 -178.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.46 -57.16 11.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.642 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.41 -61.41 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.683 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.81 -53.68 54.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.6 t -43.05 -53.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.263 0.554 . . . . 0.0 110.55 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -66.81 -35.57 80.37 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.081 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 26.0 t0 -65.39 -68.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.422 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -84.28 15.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 0.0 110.803 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' SG ' ' C ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -165.98 64.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.896 0.855 . . . . 0.0 111.283 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.88 -35.61 1.37 Allowed 'Trans proline' 0 C--N 1.299 -2.047 0 C-N-CA 122.108 1.872 . . . . 0.0 112.82 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.87 -2.55 8.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -141.15 72.91 26.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.949 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -76.1 4.95 4.86 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 123.674 2.916 . . . . 0.0 112.217 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -64.48 -49.85 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.397 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.96 -83.99 0.54 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.54 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.69 109.88 0.14 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -112.04 163.64 14.05 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.959 0.409 . . . . 0.0 110.59 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -84.05 125.57 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -139.0 140.93 38.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.241 179.145 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.8 mt -94.05 -40.74 11.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.59 -45.02 84.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 57' ' ' ARG . 94.8 mtt-85 -71.63 -65.86 0.7 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.057 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CD1' ' OD2' ' A' ' 40' ' ' ASP . 80.8 t90 -43.45 -25.44 0.15 Allowed 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.533 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 55' ' ' ARG . 42.3 ttm180 -75.34 -47.7 26.47 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -61.23 -50.38 73.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.703 -179.18 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -77.04 -21.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.56 55.18 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.0 t70 -71.4 -43.16 67.35 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 83.5 m -49.76 -64.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.5 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.68 -47.9 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -63.98 -61.13 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -178.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.0 t0 -52.91 -36.19 59.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.15 -43.1 75.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -66.1 -38.75 89.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.901 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.73 -61.11 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 27.8 m -44.99 -29.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.327 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.27 -51.83 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.09 69.57 0.33 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.0 Cg_endo -79.67 163.3 24.0 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.086 2.524 . . . . 0.0 112.482 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -100.37 1.61 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.498 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -126.57 26.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.93 100.54 0.23 Allowed Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 123.797 0.685 . . . . 0.0 110.133 -178.198 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -82.17 151.87 16.05 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.838 2.359 . . . . 0.0 112.486 -179.027 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.84 -17.88 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.59 HG22 ' CD1' ' A' ' 82' ' ' TYR . 83.6 mt -48.41 -22.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.436 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -53.29 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.362 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -46.99 -50.04 19.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -64.33 -21.93 66.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.661 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CD1' HG22 ' A' ' 78' ' ' ILE . 1.7 m-85 -87.03 85.95 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 160.81 -62.01 0.0 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 71.9 m-20 -60.84 -38.66 86.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.513 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 85' ' ' LEU . 90.4 mt -63.92 -37.83 88.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.609 179.429 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -53.83 -50.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -59.79 -53.45 57.79 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -60.21 -21.59 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 89' ' ' LEU . 12.3 tp -64.16 -58.63 6.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -178.571 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.44 -34.33 34.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -59.19 -65.7 0.63 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.455 -178.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.06 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.51 -11.88 8.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.257 0.551 . . . . 0.0 110.369 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -59.64 -6.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -43.7 -67.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.102 -177.43 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.541 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.7 p30 167.75 60.95 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 111.091 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -90.85 -157.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.157 2.571 . . . . 0.0 111.934 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.34 -25.92 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.958 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.996 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.88 -32.81 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.299 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.23 68.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.05 -19.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.073 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.224 -0.267 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.082 179.604 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -60.98 -41.49 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.96 -40.46 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.72 -44.69 86.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -53.66 -61.21 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -48.79 -44.98 39.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -61.31 -52.65 63.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.47 -34.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.52 -37.9 71.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.4 mt-30 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 HD21 ' A' ' 85' ' ' LEU . 4.4 mm? -63.9 -39.7 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.565 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.02 -40.78 98.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.89 -48.36 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 -179.133 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -64.45 -32.17 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.582 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -61.12 -17.85 54.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.3 p -86.31 -2.61 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -92.0 6.43 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.703 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.32 83.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.37 146.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.542 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.54 -164.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -103.32 97.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.687 ' CE ' HD11 ' A' ' 32' ' ' LEU . 68.1 tttt -116.4 167.23 11.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.607 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.8 m-85 -97.67 131.44 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.625 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.69 -35.69 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.1 t0 -51.29 -57.58 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.93 -62.95 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.687 HD11 ' CE ' ' A' ' 27' ' ' LYS . 29.7 mt -46.16 -47.59 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 -179.009 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.67 -48.37 22.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 77.3 t80 -51.88 -55.49 19.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 -178.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.85 -56.62 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -59.6 -63.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.079 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.78 -25.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -178.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.0 t -86.11 -63.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -177.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -63.85 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 61.1 t0 -54.59 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -178.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.29 -43.08 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.03 80.66 18.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 -178.384 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -79.39 -21.78 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.829 2.353 . . . . 0.0 112.104 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -125.09 0.24 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -142.13 67.05 21.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.81 -2.01 12.2 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.853 2.369 . . . . 0.0 112.138 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -63.25 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -105.23 -81.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.75 104.23 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.263 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 p -101.06 168.87 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -89.19 124.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -136.55 141.18 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.1 -34.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.3 -44.79 74.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.551 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 92.1 mtt-85 -69.52 -68.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD1' ' C ' ' A' ' 56' ' ' TRP . 8.3 t-105 -41.12 -27.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.572 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ARG . 73.8 ttt-85 -73.64 -47.29 41.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.78 -53.78 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.42 -24.37 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.49 92.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.4 t70 -72.92 -35.96 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.048 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.7 m -52.81 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -63.75 -42.54 97.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.515 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.58 -61.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.619 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.3 t0 -53.77 -21.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -86.37 -40.72 15.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 64.7 t80 -63.71 -39.37 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.89 -59.26 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -52.16 -16.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 74.3 t80 -87.09 5.35 38.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.44 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.0 Cg_endo -79.6 160.49 25.16 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.831 2.354 . . . . 0.0 112.132 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -99.26 -2.98 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.4 mmtt -125.82 31.3 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.708 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.5 p -43.26 100.4 0.22 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.1 Cg_endo -82.35 144.41 12.95 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.835 2.357 . . . . 0.0 112.139 -178.254 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 79' ' ' ALA . 13.3 p -74.53 -23.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.595 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.76 -20.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.62 -62.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -47.0 -43.36 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.058 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -57.14 -44.21 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -179.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 68.53 -72.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 -179.42 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -60.62 -39.31 87.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 15' ' ' LEU . 5.1 tp -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.399 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.54 -43.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tttt -67.35 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.36 -17.63 8.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.32 -53.67 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.5 tt -54.68 -32.21 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -62.6 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -57.72 -39.58 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.9 tttt -67.81 -16.16 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -55.46 -5.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 92' ' ' LYS . 61.3 t -40.77 -68.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 -178.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.63 ' OD1' HG12 ' A' ' 95' ' ' VAL . 0.4 OUTLIER 165.58 60.15 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 178.474 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.594 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.5 Cg_endo -89.45 -159.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.874 2.383 . . . . 0.0 112.094 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.9 -23.44 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 178.749 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.09 -43.73 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.3 ttp -67.45 -35.13 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.208 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.18 -20.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' ALA . 5.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.735 0.302 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -55.24 -44.13 75.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.572 178.807 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.03 -39.9 90.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 178.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 12' ' ' VAL . 82.6 t60 -59.32 -33.22 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.11 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 14' ' ' GLN . 78.0 ttt-85 -53.38 -47.61 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -60.64 -53.48 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 8' ' ' HIS . 2.5 t -43.01 -35.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -72.31 -32.32 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 -178.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' TYR . 26.8 mt-30 -70.57 -43.3 69.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.68 -41.03 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -62.53 -39.0 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.19 -42.33 99.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.552 -179.096 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.7 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.156 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.567 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.1 mt -59.35 -25.91 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -66.35 -30.46 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.6 p -75.44 -4.13 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -92.76 5.03 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.526 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -2.78 53.12 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 19' ' ' LEU . 3.2 p -66.41 151.21 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.578 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.1 ptmt -52.24 -167.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.77 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -124.06 148.97 46.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -71.26 134.26 46.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.14 11.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 29.6 t0 -47.31 -49.3 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.196 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.98 -60.95 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -178.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 45.2 tp -45.3 -47.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 15.0 mmtt -76.96 -50.09 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 38' ' ' VAL . 56.8 t80 -47.63 -64.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.016 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.4 t80 -57.49 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -178.166 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 m-20 -49.51 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -177.554 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 m-85 -64.52 -50.72 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 -177.488 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 34' ' ' PHE . 50.5 t -48.4 -60.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -178.642 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -65.99 -40.91 91.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -178.465 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 47.9 t0 -64.72 -70.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -177.663 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 50' ' ' THR . 95.7 mt -64.38 -42.75 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 -178.547 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.82 78.78 23.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -178.663 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -78.28 -22.77 9.4 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.827 2.351 . . . . 0.0 112.098 178.003 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -123.44 2.4 9.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -144.79 68.18 14.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.92 0.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.797 2.332 . . . . 0.0 112.109 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.1 -51.38 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -103.97 -78.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.83 115.12 0.04 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.5 p -117.25 166.4 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.535 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -86.43 127.14 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -134.48 140.63 46.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -95.74 -39.72 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.19 -48.7 67.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.4 mtp180 -67.9 -68.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 69.9 t90 -38.47 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.629 HH12 ' HE1' ' A' ' 83' ' ' TRP . 56.2 ttm-85 -74.37 -46.2 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttt85 -63.39 -53.9 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' OD1' ' A' ' 40' ' ' ASP . 67.8 t -72.37 -20.79 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.09 -47.88 35.3 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 65' ' ' ASP . 17.0 t70 -66.59 -40.18 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.596 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.8 m -52.09 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.1 -46.43 89.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.591 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.67 -63.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -178.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.0 t0 -49.66 -23.99 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 179.828 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -86.97 -35.37 18.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -67.61 -43.68 79.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' THR . 24.9 p-10 -72.41 -58.54 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' ASN . 44.7 m -48.01 -18.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 84.1 t80 -84.58 4.85 30.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 51.98 71.21 0.7 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.47 161.2 31.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.742 2.294 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -103.04 -1.9 28.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.153 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -121.2 29.91 7.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.3 p -44.41 101.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -178.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -83.14 144.49 11.85 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.743 2.295 . . . . 0.0 112.07 -178.695 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.71 -16.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.45 -20.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 -179.18 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.539 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -44.32 -43.8 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 179.055 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 m -59.37 -44.4 92.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -53.65 177.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.096 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.685 ' CZ3' ' ND2' ' A' ' 84' ' ' ASN . 51.5 t90 64.97 -63.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.685 ' ND2' ' CZ3' ' A' ' 83' ' ' TRP . 8.8 m120 -59.99 -43.16 95.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 85' ' ' LEU . 69.7 mt -66.35 -37.4 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -55.11 -44.79 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -62.03 -58.89 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.547 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.91 -19.22 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -67.08 -59.01 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 179.819 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -52.17 -35.75 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.028 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 78.3 m-20 -57.44 -64.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.09 -36.96 71.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' C ' ' H ' ' A' ' 95' ' ' VAL . 6.1 mttp -64.92 -12.06 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -48.42 -7.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 93' ' ' LYS . 15.5 t -52.89 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.555 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 5.9 t30 163.59 68.58 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.2 Cg_endo -90.24 -163.74 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.854 2.369 . . . . 0.0 112.067 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.5 -27.8 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.52 -44.74 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 36.5 ttp -67.67 -31.09 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.462 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.69 -49.19 60.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.53 -13.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.462 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.812 0.339 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -61.12 -40.55 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.41 -38.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -57.65 -40.77 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -47.51 -50.11 24.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -59.31 -54.31 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.27 -38.77 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.95 -36.77 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -66.0 -41.22 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.551 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -63.87 -39.45 94.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.562 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -62.08 -42.74 99.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -55.01 -51.99 64.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.563 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.06 12.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.39 -35.14 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.05 -15.17 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.5 p -86.75 -2.63 58.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -95.91 1.55 53.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.32 2.66 90.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.9 p -64.05 144.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.7 ptmt -52.08 -165.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.17 103.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -124.62 153.27 42.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -77.49 131.19 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -41.8 12.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -54.14 -57.72 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.28 -62.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.49 -44.29 25.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -178.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -78.68 -52.63 8.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -178.026 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 91.2 t80 -52.43 -54.52 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' ' CE ' ' A' ' 39' ' ' LYS . 5.8 t80 -60.65 -57.98 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -178.844 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -51.32 -57.09 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -178.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.01 -56.62 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -178.02 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 34' ' ' PHE . 44.9 t -44.05 -51.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CE ' ' CZ ' ' A' ' 35' ' ' PHE . 38.0 mttm -66.49 -44.68 81.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' C ' ' A' ' 40' ' ' ASP . 60.8 t0 -62.57 -71.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -178.168 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.457 HG21 ' O ' ' A' ' 50' ' ' THR . 87.5 mt -58.23 -44.01 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 -178.899 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -122.03 81.01 43.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 -178.744 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -81.65 -22.72 5.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 0.0 112.174 179.131 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.29 -3.35 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -145.45 75.05 13.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.535 -179.302 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -79.83 3.25 7.73 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -61.53 -52.4 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -121.74 -82.67 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.2 103.58 0.03 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 178.284 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 41' ' ' ILE . 2.7 p -86.57 165.96 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.559 179.044 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.56 131.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 143.06 44.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 16.7 mt -94.03 -34.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.86 -47.67 68.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.514 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.6 mtp180 -68.76 -68.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 -179.726 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.5 t90 -38.89 -27.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.816 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -73.93 -46.22 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' ARG . 76.4 ttt-85 -64.97 -52.95 53.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.169 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.3 -24.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -43.46 78.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' ASP . 5.1 t70 -73.11 -40.37 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.567 -179.006 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.9 m -50.01 -66.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.139 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -64.6 -47.09 79.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.634 ' NE2' ' CE2' ' A' ' 82' ' ' TYR . 17.0 tt0 -63.55 -61.82 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -178.138 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASP . 23.8 t0 -55.26 -26.89 42.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -80.91 -46.04 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -64.6 -40.1 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -76.33 -62.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 -178.507 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 88.9 m -43.69 -29.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.42 -55.12 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.73 68.65 0.26 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.532 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.3 Cg_endo -77.36 164.54 28.75 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.843 2.362 . . . . 0.0 112.094 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -101.41 -1.13 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -123.34 25.88 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.721 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.7 p -44.4 102.65 0.3 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.53 150.59 14.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.797 2.332 . . . . 0.0 112.075 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.55 -25.99 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.561 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.8 mt -45.16 -28.4 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.577 ' O ' ' CD1' ' A' ' 82' ' ' TYR . . . -48.86 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 82' ' ' TYR . 55.1 m-85 -46.35 -39.08 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 85' ' ' LEU . 4.7 p -65.15 2.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.18 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.634 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 0.1 OUTLIER -90.51 171.31 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.549 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.816 ' HE1' HH12 ' A' ' 57' ' ' ARG . 90.9 t90 65.88 -54.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 82' ' ' TYR . 35.7 t30 -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.487 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 81' ' ' SER . 95.0 mt -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.5 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 -179.102 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -68.34 -60.72 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.6 pt-20 -56.14 -20.49 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.98 -54.95 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -54.81 -32.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.765 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -62.38 -65.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.0 mttt -59.52 -42.08 91.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.579 179.193 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.589 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.2 tttt -64.65 -15.9 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -52.36 -4.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG12 ' OD1' ' A' ' 96' ' ' ASN . 13.4 t -41.7 -68.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.684 ' OD1' HG12 ' A' ' 95' ' ' VAL . 1.5 p30 163.88 60.7 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 178.662 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.03 -156.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.833 2.355 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.0 -23.12 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.527 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.58 -44.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.79 -33.97 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.55 -51.13 59.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.57 -19.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 179.347 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -55.03 -45.54 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.06 -40.67 98.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.544 ' NE2' HG23 ' A' ' 12' ' ' VAL . 76.7 t60 -58.21 -40.88 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.261 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -51.95 -58.66 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -52.01 -43.1 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.6 m-85 -63.5 -51.95 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG23 ' NE2' ' A' ' 8' ' ' HIS . 2.1 t -43.79 -35.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.547 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -72.14 -34.42 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.1 mt-30 -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.605 -179.572 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.58 -41.96 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.429 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.93 -38.36 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.224 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.91 -45.7 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.008 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 -60.07 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.351 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 24' ' ' VAL . 63.9 mt -55.16 -25.55 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.367 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -66.23 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 p -70.22 -15.05 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.593 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH21 ' HA ' ' A' ' 19' ' ' LEU . 81.0 mtt85 -82.0 3.83 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.459 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 -0.47 63.25 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 19' ' ' LEU . 1.7 p -64.92 150.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.675 0.274 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.5 ptmt -51.34 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -107.09 101.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -122.6 160.55 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -84.17 135.14 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.27 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.5 t70 -52.41 -55.98 18.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 31' ' ' LEU . 34.9 tp -64.52 -61.04 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 -178.623 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -45.6 -46.63 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -78.21 -49.89 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.479 -178.171 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 38' ' ' VAL . 75.4 t80 -47.5 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 -179.639 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.446 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.7 t80 -57.43 -51.9 67.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -178.285 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.3 t0 -52.76 -60.59 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 -177.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.11 -57.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' PHE . 53.5 t -43.05 -59.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.14 -44.52 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -178.624 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 63.3 t0 -60.78 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.663 HG23 ' NE ' ' A' ' 55' ' ' ARG . 89.2 mt -63.39 -44.51 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 -179.017 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -119.86 80.88 25.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.297 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.3 -20.9 9.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.786 2.324 . . . . 0.0 112.118 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -124.69 -3.15 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.551 -178.511 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 47.6 m-85 -138.37 62.22 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.82 3.05 3.52 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.849 2.366 . . . . 0.0 112.086 -179.314 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.39 -48.76 76.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -115.96 -82.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.25 94.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.542 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -86.66 170.73 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 1.6 pp -90.65 129.1 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 95.2 m-20 -138.03 141.43 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.69 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.7 mt -90.67 -39.44 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.03 -45.71 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NE ' HG23 ' A' ' 41' ' ' ILE . 31.8 ttp180 -69.28 -67.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.533 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 50.6 t-105 -38.56 -30.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' ARG . 59.1 ttp180 -72.04 -46.36 57.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.1 ttm-85 -62.43 -59.41 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG11 ' OD2' ' A' ' 40' ' ' ASP . 92.2 t -69.01 -21.92 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -48.63 32.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.7 t70 -69.4 -42.57 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.562 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.7 m -50.17 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.608 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.18 -44.69 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.76 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.5 t0 -49.75 -36.67 26.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.115 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -73.29 -44.58 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.649 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.93 -42.3 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.86 -63.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.174 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 30.4 m -43.91 -28.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.64 -55.58 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 126.02 70.66 0.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.405 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 59.0 Cg_endo -79.48 162.02 25.07 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.86 2.374 . . . . 0.0 112.17 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -101.78 -3.26 28.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.44 29.88 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.677 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -42.7 101.43 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -81.67 148.51 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.744 2.296 . . . . 0.0 112.154 -178.429 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.59 -14.51 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.42 ' O ' ' OG ' ' A' ' 81' ' ' SER . 82.4 mt -49.08 -21.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.513 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 82.2 p -64.99 -42.13 94.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.688 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -53.09 169.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.279 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.688 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 67.97 -59.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.486 -179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 64.8 m-20 -61.08 -43.26 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 85' ' ' LEU . 38.5 mt -66.9 -37.27 84.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -52.92 -45.32 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -66.56 -57.22 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -58.76 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.56 -58.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.4 tt -54.18 -31.69 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -60.74 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.4 mmtt -60.54 -40.82 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 95' ' ' VAL . 82.3 tttt -62.94 -14.53 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -57.91 -3.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 93' ' ' LYS . 11.0 t -45.41 -70.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -178.211 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.564 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 17.4 t30 169.44 61.17 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.52 -156.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.842 2.361 . . . . 0.0 112.132 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.49 -20.6 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.12 -44.88 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -70.62 -28.01 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.01 -46.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.29 -15.05 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 12.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -55.07 -45.73 75.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.117 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.73 -42.45 95.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.48 179.339 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -53.14 -36.1 60.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.1 -63.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.372 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -52.09 -45.14 64.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.347 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.2 -51.09 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.535 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -46.53 -34.83 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -71.19 -36.9 72.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.745 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.59 -41.07 80.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.53 -39.65 94.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.344 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.0 -40.04 94.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.55 -56.41 14.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 93.7 mt -61.64 -23.75 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.457 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.16 -36.2 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -68.14 -10.26 52.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.21 -1.84 56.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.79 -1.27 16.58 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.813 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.0 p -64.36 64.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.0 ptmt 36.98 -165.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 0.0 110.498 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.7 t -117.84 108.77 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.237 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HZ1' HD13 ' A' ' 78' ' ' ILE . 12.2 ptmt -116.7 150.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.609 -179.735 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.753 ' O ' HD12 ' A' ' 32' ' ' LEU . 98.2 m-85 -80.8 133.66 35.66 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -89.01 -37.02 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.626 0.726 . . . . 0.0 111.734 178.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 6.5 t0 -55.44 -62.67 1.53 Allowed 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.797 -178.03 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.69 -59.93 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.379 . . . . 0.0 111.843 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 28' ' ' TYR . 98.0 mt -47.52 -43.66 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 29' ' ' ALA . 76.9 tttt -80.21 -47.57 14.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.924 0.393 . . . . 0.0 111.638 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 64.9 t80 -51.62 -54.23 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.527 -178.835 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.78 -51.14 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 98.1 m-20 -54.23 -59.51 4.57 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.21 -60.82 3.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.798 0.333 . . . . 0.0 111.461 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 44.0 t -43.64 -60.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.256 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.28 -46.83 81.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.552 -179.102 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 60.5 t0 -57.07 -69.56 0.15 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -178.592 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG21 ' O ' ' A' ' 50' ' ' THR . 97.5 mt -64.2 -43.17 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.697 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.68 79.23 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.102 0.477 . . . . 0.0 111.112 -179.465 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.08 -18.61 9.95 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.788 2.326 . . . . 0.0 112.262 179.417 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -122.19 -7.33 8.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.257 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 3.1 m-85 -138.36 67.77 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.82 4.06 4.44 Favored 'Trans proline' 0 C--N 1.3 -1.975 0 C-N-CA 122.942 2.428 . . . . 0.0 112.236 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.62 -49.89 74.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -121.58 -78.78 0.6 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.3 100.49 0.02 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 41' ' ' ILE . 3.7 p -87.44 168.93 12.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 0.0 110.192 179.636 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.25 125.51 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -129.95 137.63 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.464 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.68 -38.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.24 -46.61 79.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 65.9 mmt-85 -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.42 -179.592 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 63.0 t-105 -41.06 -36.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -72.17 -44.6 62.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.635 178.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 88.2 mtt-85 -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.467 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.523 HG11 ' OD2' ' A' ' 40' ' ' ASP . 67.9 t -72.0 -22.82 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.33 -46.85 55.13 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 33.9 t70 -69.35 -39.25 78.24 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.082 0.468 . . . . 0.0 110.429 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.7 m -50.88 -66.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.619 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -63.12 -47.12 84.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.88 -62.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.251 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -50.61 -24.29 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.54 -39.29 20.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.533 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 76.8 t80 -64.68 -41.3 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' N ' ' A' ' 70' ' ' PHE . 56.7 m-20 -70.77 -60.29 2.33 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.7 m -47.42 -16.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.071 0.462 . . . . 0.0 110.234 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 90.2 t80 -87.7 4.13 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 54.72 68.44 1.68 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 63.2 Cg_endo -78.92 160.01 27.36 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.008 2.472 . . . . 0.0 112.138 179.616 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -101.79 2.13 38.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.61 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -124.78 26.3 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.9 p -44.16 99.97 0.22 Allowed Pre-proline 0 CA--C 1.533 0.32 0 O-C-N 123.61 0.569 . . . . 0.0 109.982 -178.376 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.86 144.26 13.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.864 2.376 . . . . 0.0 112.695 -178.598 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.67 -7.12 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 67.5 mt -53.03 -20.26 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -58.27 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 0.0 110.674 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -43.94 -47.91 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 46.1 p -63.87 -42.78 97.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.5 m-85 -53.7 177.2 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.638 -179.575 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.525 ' O ' ' CE3' ' A' ' 83' ' ' TRP . 0.8 OUTLIER 60.97 -67.25 0.05 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.399 0.619 . . . . 0.0 110.652 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 82' ' ' TYR . 53.5 m-20 -51.92 -41.01 61.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.42 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.54 -33.7 76.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -56.8 -41.75 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.946 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tmtt? -65.26 -56.42 12.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -59.45 -21.45 60.07 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.179 0.514 . . . . 0.0 110.499 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.4 mt -71.98 -53.24 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.978 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.1 tt -51.9 -32.64 14.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 121.553 0.692 . . . . 0.0 110.181 -179.787 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -60.05 -59.32 5.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.812 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -58.16 -36.65 73.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.297 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 95' ' ' VAL . 7.3 mmtt -54.64 -23.16 15.97 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.248 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -45.56 -12.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.0 111.357 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 93' ' ' LYS . 4.3 t -52.59 -65.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.482 ' N ' HG12 ' A' ' 95' ' ' VAL . 1.1 m120 163.87 65.12 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 110.268 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 20.1 Cg_endo -92.05 -166.2 0.16 Allowed 'Trans proline' 0 C--N 1.294 -2.307 0 C-N-CA 123.107 2.538 . . . . 0.0 112.663 -178.415 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -68.01 -25.08 65.22 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.065 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.48 -42.69 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.343 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mmm -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -45.63 68.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.579 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.47 -16.35 0.57 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.461 0.106 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.183 179.696 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -59.09 -41.63 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.34 -36.72 83.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -60.28 -37.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.69 -63.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -48.85 -47.71 42.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLN . 6.2 m-85 -61.03 -53.01 62.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -44.11 -37.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -69.57 -37.57 77.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 mm-40 -66.16 -42.04 89.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.26 -41.15 98.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -59.74 -46.4 89.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -57.72 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.366 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -31.12 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -61.32 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.607 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 17' ' ' GLN . 29.9 p -75.71 -5.25 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 -179.222 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 70.5 mtm180 -92.55 -1.91 56.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.35 90.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.7 p -63.26 147.59 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.607 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.09 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.34 100.28 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -120.4 153.26 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.94 133.61 36.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -89.22 -42.12 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 27.8 t0 -52.05 -55.63 19.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.481 -178.75 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.19 -62.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 -178.207 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -45.97 -45.48 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -78.01 -50.07 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.588 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.3 t80 -48.59 -64.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 -179.657 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -57.53 -51.25 70.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -178.732 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -53.44 -60.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -178.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -60.64 -58.8 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 34' ' ' PHE . 43.5 t -42.32 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -178.502 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -64.2 -41.02 97.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 -178.276 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -63.64 -71.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.417 HG21 ' O ' ' A' ' 50' ' ' THR . 97.3 mt -62.72 -42.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.28 81.09 29.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.609 -179.037 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -80.31 -21.39 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.866 2.377 . . . . 0.0 112.091 179.05 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -125.06 4.03 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -144.28 69.55 15.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.64 -0.21 10.47 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.856 2.37 . . . . 0.0 112.075 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.62 -54.0 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -103.65 -79.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.607 179.18 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.77 115.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.9 p -116.75 161.97 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.331 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.7 131.62 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -135.73 142.13 44.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.548 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.25 -39.56 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.9 -47.73 70.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.26 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' ARG . 94.4 mtt-85 -69.97 -68.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 46.5 t90 -38.01 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.557 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.749 HH22 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -75.06 -45.09 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.741 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' ARG . 94.0 mtt180 -64.61 -56.23 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.292 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.0 t -71.93 -22.58 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -45.86 59.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 65' ' ' ASP . 24.4 t70 -68.21 -37.76 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.548 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.6 m -53.67 -67.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.5 -45.08 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -64.18 -61.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.7 t0 -55.61 -20.41 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.98 -42.77 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 74.8 t80 -62.72 -39.55 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -71.47 -56.08 6.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.586 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 m -52.09 -21.8 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 82.9 t80 -80.19 2.09 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.07 73.56 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.636 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.9 Cg_endo -79.87 158.47 24.36 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.885 2.39 . . . . 0.0 112.106 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -100.03 0.89 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -127.19 31.23 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.263 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.7 p -45.28 102.97 0.32 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.357 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.95 145.4 14.06 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.77 2.313 . . . . 0.0 112.117 -178.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -76.08 -19.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.84 -20.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -46.43 -40.94 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 68.8 m -61.95 -42.93 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.2 m-85 -55.35 178.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.647 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HE1' HH22 ' A' ' 57' ' ' ARG . 68.5 t90 65.63 -62.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.622 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 82' ' ' TYR . 21.6 m-80 -61.32 -42.69 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.502 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD23 ' CD ' ' A' ' 88' ' ' GLU . 86.6 mt -67.57 -35.55 79.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.37 -44.03 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -67.77 -59.81 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.9 pt-20 -58.75 -19.32 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.089 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.89 -57.59 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -51.77 -36.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.439 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 93.1 m-20 -57.41 -62.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -26.05 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' A' ' 95' ' ' VAL . 4.0 mttp -80.03 -13.44 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -46.77 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.535 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.7 t -47.45 -68.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.515 -179.393 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.498 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 9.3 t30 168.01 67.23 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 179.392 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 31.9 Cg_endo -90.45 -166.96 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.827 2.351 . . . . 0.0 112.107 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.78 -26.57 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.8 t -56.65 -45.02 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtp -70.43 -30.52 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -65.74 -51.95 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.28 -13.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.7 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.798 0.332 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -59.98 -38.58 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.386 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -53.86 -40.41 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -63.99 -63.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -48.24 -48.16 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.2 m-85 -62.53 -55.84 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.561 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -40.94 -39.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -69.32 -36.61 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 -179.196 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.3 mt-30 -65.65 -43.89 88.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 -178.802 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -61.59 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 -179.407 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.68 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.314 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.637 ' O ' HG23 ' A' ' 21' ' ' THR . 95.4 mt-30 -57.55 -51.03 71.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.63 -57.32 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -178.814 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.27 -32.47 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -62.29 -21.47 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.175 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 17' ' ' GLN . 34.4 p -82.5 -2.7 54.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.105 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.82 3.48 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.16 84.62 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -60.89 147.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.3 ptmt -54.49 -168.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.97 97.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.316 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -118.63 149.95 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.322 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -77.27 133.08 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.4 13.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -52.6 -56.61 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.85 -62.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.589 -178.605 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.8 tp -44.91 -45.46 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 -179.162 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -79.09 -48.77 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -178.37 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.1 t80 -49.56 -63.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.29 -53.78 54.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -51.6 -60.66 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -178.616 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -61.08 -56.75 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.0 t -44.75 -61.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -178.639 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -63.45 -42.43 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -177.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -62.27 -70.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 -178.511 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' THR . 95.5 mt -63.17 -43.25 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.31 80.87 37.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -178.912 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -80.62 -20.39 8.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.345 . . . . 0.0 112.112 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -123.15 -0.35 8.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 66.1 m-85 -144.02 65.73 14.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.205 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.16 4.01 5.19 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.812 2.341 . . . . 0.0 112.052 -179.32 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.39 -48.43 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -109.14 -78.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 179.179 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.5 p -102.63 161.83 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.54 178.509 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -74.58 129.69 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -131.45 139.96 49.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 71.4 mt -94.13 -40.42 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.43 -47.42 73.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.9 mtt180 -72.3 -68.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -178.68 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 27.7 t90 -37.66 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.746 HH12 ' HE1' ' A' ' 83' ' ' TRP . 61.7 ttm-85 -75.15 -44.6 45.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.5 ttm180 -63.72 -58.66 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -69.79 -24.1 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.76 62.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -178.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' ASP . 8.0 t70 -70.27 -38.25 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -51.67 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -64.93 -43.99 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 -178.798 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -65.5 -62.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -178.691 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 61' ' ' ASP . 22.9 t70 -54.5 -32.26 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.611 -178.71 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -76.48 -42.85 42.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -67.2 -37.81 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.04 -61.8 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 82.7 m -42.97 -31.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -178.867 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.99 -53.87 43.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.466 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.24 71.88 0.3 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.134 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 57.9 Cg_endo -80.61 165.89 20.08 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.764 2.309 . . . . 0.0 112.126 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -101.95 1.62 36.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.588 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -126.17 29.85 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.8 p -43.59 102.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.514 -179.451 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -81.67 144.16 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.8 2.333 . . . . 0.0 112.096 -178.362 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.2 -23.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.62 -24.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.15 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -46.94 -41.69 16.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.427 ' OG ' HD11 ' A' ' 85' ' ' LEU . 5.3 t -61.28 -44.87 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -54.26 179.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 -179.651 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.746 ' HE1' HH12 ' A' ' 57' ' ' ARG . 45.8 t90 64.16 -61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 82' ' ' TYR . 29.6 m-20 -61.48 -42.71 99.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.532 HD23 ' CD ' ' A' ' 88' ' ' GLU . 82.5 mt -66.96 -34.42 77.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.628 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.94 -43.87 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.6 tttt -65.86 -61.51 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -57.73 -20.58 35.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.15 -58.31 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.604 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.2 tt -52.86 -34.4 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 86.3 m-20 -58.38 -65.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.26 -42.72 99.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 95' ' ' VAL . 82.2 tttt -63.94 -13.76 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -58.26 -2.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.878 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -44.58 -62.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -177.736 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.878 ' H ' HG13 ' A' ' 95' ' ' VAL . 1.2 m120 164.33 60.12 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.9 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.791 2.327 . . . . 0.0 112.111 179.065 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.17 -26.34 68.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.026 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.97 -44.91 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.443 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mmm -70.01 -28.77 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.92 -50.95 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.51 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 -13.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.1 mt-30 -48.42 -40.93 27.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.176 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 99.1 mt-10 -50.1 -6.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.006 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.6 tt -59.01 -41.82 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -55.3 -41.07 71.87 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.118 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -65.01 -36.75 85.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.36 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.645 ' NE2' ' H82' ' A' ' 201' ' ' MYR . 18.2 m170 -64.85 -34.71 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.249 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.93 -59.77 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.149 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -53.7 -43.46 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.37 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.7 m-85 -61.89 -49.97 74.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.732 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.72 -37.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.36 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.76 -36.31 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.6 mt-30 -67.95 -41.01 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.339 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -62.5 -39.03 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.294 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.69 -44.1 97.1 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -53.41 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HG12 ' A' ' 24' ' ' VAL . 67.2 mt -61.52 -26.32 67.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 110.205 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -63.94 -34.31 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.496 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -73.7 -13.58 61.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -79.86 1.49 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 2.5 73.12 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -68.82 149.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.559 0.218 . . . . 0.0 110.468 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.2 ptmt -51.67 -165.6 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.744 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -111.39 105.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 111.453 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HD3' HD22 ' A' ' 32' ' ' LEU . 14.9 ptpt -132.18 164.98 25.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.69 134.31 35.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 -46.89 10.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 39.1 t0 -54.17 -51.58 63.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.082 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.48 -58.94 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.517 0.511 . . . . 0.0 111.525 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD22 ' HD3' ' A' ' 27' ' ' LYS . 53.4 tp -49.08 -42.53 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.976 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' NZ ' H132 ' A' ' 201' ' ' MYR . 67.8 tttt -76.03 -48.77 19.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.0 m-85 -51.86 -64.9 0.67 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.508 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -47.87 -57.4 5.71 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.332 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -55.57 -58.12 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.785 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CZ ' ' NE1' ' A' ' 56' ' ' TRP . 7.0 m-85 -66.12 -54.92 19.65 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 86.0 t -43.64 -44.7 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.935 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -79.84 -21.21 44.44 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.299 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' PHE . 8.8 t70 -74.44 -66.73 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.035 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 41' ' ' ILE . 33.6 pt -84.86 -15.98 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.615 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 45' ' ' PHE . 2.2 m -130.35 63.13 68.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.1 -23.72 15.59 Favored 'Trans proline' 0 C--N 1.301 -1.934 0 C-N-CA 122.717 2.278 . . . . 0.0 112.906 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 44' ' ' TRP . 15.8 t90 -122.04 -3.67 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p90 -145.58 75.31 13.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 121.001 0.429 . . . . 0.0 111.425 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.4 5.99 5.42 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.981 3.121 . . . . 0.0 111.665 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -62.0 -51.78 66.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.406 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -115.8 -78.44 0.58 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.84 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . 63.13 88.46 0.04 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -82.68 163.42 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG2' H101 ' A' ' 201' ' ' MYR . 2.0 pp -77.18 125.42 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.079 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 63.2 m-20 -132.17 139.33 48.34 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.698 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 86' ' ' ILE . 46.1 mt -94.19 -40.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.294 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -46.72 80.16 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.967 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 52' ' ' ASP . 50.6 mtm180 -72.26 -63.89 1.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.546 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.629 ' NE1' ' CZ ' ' A' ' 37' ' ' PHE . 44.8 t90 -42.84 -27.85 0.21 Allowed 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 55' ' ' ARG . 59.3 ttp180 -72.83 -46.19 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 81.4 mtp180 -63.52 -52.29 61.82 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.116 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.31 -23.87 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.282 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.45 -50.5 37.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.0 t70 -64.97 -40.87 95.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.91 -45.62 92.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.98 -61.84 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.955 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -51.76 -24.75 6.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.068 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -83.36 -43.55 15.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.66 -44.14 97.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.05 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.56 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.9 m -51.32 -17.21 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.4 t80 -84.85 5.41 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.12 72.04 0.61 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.55 159.87 38.91 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.742 2.295 . . . . 0.0 112.261 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -100.74 -9.0 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -121.97 39.04 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.182 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -46.64 102.61 0.31 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.255 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -82.24 143.23 12.48 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.654 2.236 . . . . 0.0 112.8 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 -22.19 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.691 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.4 mt -47.75 -21.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.363 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.66 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 110.472 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -47.29 -42.04 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.672 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 m -59.38 -42.33 91.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.71 179.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.169 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 53.1 t90 68.31 -65.58 0.26 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.806 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -60.51 -40.7 92.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.6 HD23 ' CD ' ' A' ' 88' ' ' GLU . 24.6 mt -66.05 -33.43 75.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.884 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 HG12 ' A' ' 53' ' ' ILE . 25.6 mm -60.12 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.29 -58.37 6.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.6 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -59.37 -21.03 59.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.77 -54.53 15.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 tt -53.17 -37.31 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.315 0.578 . . . . 0.0 109.551 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.48 -62.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.031 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.4 -10.41 11.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 1.039 ' HZ1' H102 ' A' ' 201' ' ' MYR . 8.9 mttp -86.42 -14.85 42.1 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.784 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -47.46 -9.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -51.68 -64.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.332 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 8.2 t30 162.9 69.57 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.637 0 CA-C-O 121.351 0.596 . . . . 0.0 110.554 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -92.23 -168.0 0.21 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 123.186 2.59 . . . . 0.0 111.664 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.84 -24.74 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.9 t -58.84 -44.77 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 84.2 mtp -69.29 -30.05 68.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.21 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.98 -47.65 67.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -15.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.482 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.408 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.0 t -93.54 -51.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.455 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 -24.87 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.082 0.468 . . . . 0.0 110.153 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -85.49 -58.73 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.4 m -61.65 -40.2 94.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -120.22 72.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.923 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.43 139.48 57.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.393 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.6 tt -66.39 -25.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.807 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.84 -31.36 70.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.522 ' N ' ' OD2' ' A' ' 117' ' ' ASP . 51.3 pttt -44.22 133.4 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.279 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -161.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -61.51 -40.44 94.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.238 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.4 m -164.03 23.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.671 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -110.53 -121.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.1 p -136.91 171.44 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.522 ' OD2' ' N ' ' A' ' 111' ' ' LYS . 35.2 m-20 -67.99 -28.14 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.202 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.29 -42.06 99.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 122' ' ' HIS . 95.8 mt-10 54.63 94.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.904 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -66.04 -36.83 84.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.6 m-70 -104.38 150.85 24.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -137.5 106.15 5.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.616 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -113.26 144.58 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.879 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.648 179.688 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 1.039 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' N ' ' H41' ' A' ' 201' ' ' MYR . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' A' ' 5' ' ' LEU . 98.9 mm-40 -48.95 -37.32 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.709 0.29 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 98' ' ' GLN . 96.7 mt-10 -49.67 -8.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.655 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.8 tt -52.8 -38.8 61.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -60.78 -37.66 82.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.22 -38.77 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.92 -37.73 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.07 -62.55 1.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -51.33 -43.44 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.041 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.8 m-85 -62.74 -52.88 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.657 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.3 t -44.46 -37.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.24 -38.45 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' TYR . 85.4 mm-40 -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.066 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.2 mm? -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -61.94 -42.31 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.659 ' O ' HG23 ' A' ' 21' ' ' THR . 87.7 mt-30 -58.04 -48.23 80.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.84 -54.76 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 mt -64.38 -32.98 74.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.024 0.44 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.3 -23.22 65.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 17' ' ' GLN . 39.2 p -87.37 -3.75 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.679 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -90.05 9.26 28.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.657 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.88 35.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.4 p -65.52 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.543 0.211 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 24' ' ' VAL . 10.9 ptmt -51.82 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.643 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.26 107.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -130.66 149.13 52.46 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.156 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -69.76 134.27 48.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.185 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.1 -45.21 12.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.8 t0 -48.83 -50.44 34.47 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.236 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.36 -59.88 4.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.474 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -47.56 -46.94 28.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.617 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 17.4 mmtt -76.55 -47.48 22.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.0 t80 -51.64 -63.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.678 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.2 t80 -58.84 -50.12 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.617 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -52.04 -59.43 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 m-85 -65.5 -49.39 69.18 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.948 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.6 t -49.75 -58.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -66.84 -40.46 87.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.524 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.11 -67.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.694 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.37 -43.65 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.27 77.61 13.27 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 121.364 0.602 . . . . 0.0 111.093 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.71 -22.61 11.79 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.309 2.006 . . . . 0.0 112.286 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 94.1 m95 -122.79 1.98 9.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.293 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TRP . 74.0 m-85 -144.67 66.22 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.44 1.16 9.06 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.054 2.502 . . . . 0.0 111.978 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.12 -50.93 66.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -99.28 -78.16 0.51 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.428 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.27 116.75 0.05 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -125.86 156.38 39.7 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' CG2' H101 ' A' ' 201' ' ' MYR . 1.9 pp -76.25 128.34 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.303 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 88.6 m-20 -136.2 144.71 45.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.426 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.8 mt -97.71 -40.27 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HB3' HH22 ' A' ' 58' ' ' ARG . 64.9 mmtt -66.21 -44.85 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.238 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.1 mtt180 -71.43 -65.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.029 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -44.61 -21.93 0.07 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -75.69 -48.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.843 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 55' ' ' ARG . 94.0 mtm-85 -63.62 -55.02 26.86 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.063 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.15 -22.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.9 62.6 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 32.6 t70 -70.44 -39.42 74.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -52.48 -65.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.839 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -63.44 -46.7 85.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.81 -59.63 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.17 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.3 t0 -56.13 -30.42 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.196 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -74.49 -45.03 48.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -65.67 -39.35 91.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -78.59 -60.58 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.229 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 33.6 m -46.73 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.415 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -65.28 -53.15 48.44 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.581 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.49 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.26 70.24 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.3 Cg_endo -81.57 160.33 19.41 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.105 2.536 . . . . 0.0 112.304 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -102.85 2.74 35.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -124.66 23.31 8.07 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -44.41 100.92 0.24 Allowed Pre-proline 0 CA--C 1.532 0.256 0 O-C-N 123.516 0.51 . . . . 0.0 110.081 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.91 154.04 19.65 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.853 2.369 . . . . 0.0 112.7 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p -76.85 -25.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.557 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.2 mt -45.66 -24.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -55.43 -64.58 0.8 Allowed 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.565 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -43.37 -34.51 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.861 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -37.39 85.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.16 162.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.501 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 7.2 t90 68.83 -60.39 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -58.47 -45.88 87.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.748 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -38.35 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.057 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mm -58.13 -43.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.25 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 90' ' ' ILE . 8.2 tttm -65.87 -59.67 3.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.556 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -56.85 -22.46 36.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.47 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.6 HD13 H141 ' A' ' 201' ' ' MYR . 8.6 mt -69.8 -55.3 10.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.029 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.2 tt -51.9 -32.68 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.07 -63.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.452 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.97 -10.49 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.477 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 1.07 ' HZ1' H102 ' A' ' 201' ' ' MYR . 2.7 mttp -89.7 -15.91 31.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -46.11 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 93' ' ' LYS . 24.1 t -47.67 -64.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 3.7 m-20 162.02 67.67 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 CA-C-O 121.456 0.646 . . . . 0.0 110.61 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.12 -168.62 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.026 2.484 . . . . 0.0 112.25 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.619 ' OE1' ' H22' ' A' ' 201' ' ' MYR . 68.3 tp60 -61.78 -30.89 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.203 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 51' ' ' ILE . 72.8 t -50.74 -42.42 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.941 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.0 ttp -65.96 -35.31 80.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.508 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . . . -67.48 -51.18 54.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.6 -17.23 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.157 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.6 t -94.08 -51.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.493 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.66 -24.35 67.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.073 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -89.9 -60.16 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.0 m -60.32 -43.05 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -128.2 84.09 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.73 159.21 6.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 pt -99.79 -1.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 111' ' ' LYS . 96.3 mt -93.2 -7.65 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 110' ' ' LEU . 61.9 pttt -54.02 -164.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.727 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.4 m -102.78 161.62 13.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 109.832 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.513 ' N ' ' OD2' ' A' ' 117' ' ' ASP . 76.9 m-20 57.15 34.07 24.29 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.227 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.465 ' H ' ' CG ' ' A' ' 117' ' ' ASP . 25.1 p -127.11 -170.18 2.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.05 -39.48 89.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.422 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.2 p -128.03 100.38 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.713 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' A' ' 113' ' ' ASN . 76.8 m-20 -105.68 9.13 33.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.29 -41.25 98.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 110' ' ' LEU . 99.2 mt-10 48.14 -166.34 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.39 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -132.28 135.44 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.481 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -118.89 148.59 42.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.693 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -106.47 126.14 51.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.426 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -139.51 94.28 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.186 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -109.7 123.36 49.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.641 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 1.07 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 5' ' ' LEU . 97.3 mm-40 -62.97 -24.0 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 56.9 mp0 -49.45 -11.31 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.601 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -53.87 -34.43 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.324 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -58.87 -41.56 87.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.686 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.487 ' OE1' HG21 ' A' ' 95' ' ' VAL . 7.4 tt0 -63.43 -40.02 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.197 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -58.7 -39.63 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -59.35 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.051 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -51.33 -44.59 62.02 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.295 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.6 m-85 -59.76 -52.57 64.91 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.464 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.88 -36.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.449 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.2 mt-30 -64.31 -41.69 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.84 -40.87 98.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -62.06 -40.48 95.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 21' ' ' THR . 96.0 mt-30 -58.4 -47.46 83.8 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.257 0.551 . . . . 0.0 110.412 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.3 -56.56 19.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.78 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.96 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.89 -21.4 60.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.7 p -78.83 -4.54 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -92.02 -1.43 57.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.36 89.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -61.97 145.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.679 0.276 . . . . 0.0 110.45 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.4 ptmt -53.57 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.95 99.99 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -122.53 154.72 37.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.92 133.59 35.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.208 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.21 -45.7 10.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.1 t70 -54.22 -53.53 52.36 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.83 -59.68 3.63 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.392 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.4 tp -48.47 -41.81 30.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.352 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.571 ' NZ ' H132 ' A' ' 201' ' ' MYR . 71.2 tttt -81.76 -48.16 11.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.385 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.3 t80 -52.65 -57.16 10.95 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.605 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -62.09 -51.95 65.88 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.624 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -53.52 -56.19 19.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 111.103 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.19 -54.38 34.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.692 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.8 t -45.21 -56.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.833 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -63.37 -41.3 98.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 53.5 t0 -66.69 -67.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.276 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.62 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -117.86 77.69 11.96 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.82 -22.3 7.71 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.633 2.222 . . . . 0.0 112.195 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 m-90 -121.85 0.3 9.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 43.1 m-85 -141.49 66.37 23.09 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.781 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.57 -2.19 12.37 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 C-N-CA 122.896 2.397 . . . . 0.0 112.144 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.82 -48.8 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -98.65 -76.13 0.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.81 109.99 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 p -124.08 159.18 30.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.529 ' CG2' H143 ' A' ' 201' ' ' MYR . 2.3 pp -76.45 130.86 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.296 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -135.18 143.86 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.455 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.5 mt -98.06 -40.26 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -66.08 -44.32 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.5 mtt-85 -72.82 -65.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.486 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 70.0 t-105 -43.62 -22.82 0.05 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 55' ' ' ARG . 56.2 ttp180 -76.84 -47.9 20.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -63.16 -55.49 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.461 . . . . 0.0 111.24 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.37 -22.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.68 -45.39 66.23 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 13.8 t70 -68.54 -39.82 80.97 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.66 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.17 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.59 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.86 -46.05 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.96 -60.37 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.044 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 44.1 t0 -54.0 -23.42 13.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.272 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.39 -40.33 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 82.8 t80 -63.28 -42.69 99.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.348 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.84 -55.06 9.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -54.73 -18.23 4.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.503 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 64.3 t80 -82.83 0.0 46.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.665 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.51 71.72 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.6 Cg_endo -77.62 155.28 31.43 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 123.008 2.472 . . . . 0.0 112.272 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -101.18 1.52 39.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -126.51 33.0 5.07 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.714 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -44.32 100.57 0.23 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 O-C-N 123.862 0.726 . . . . 0.0 110.009 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -81.45 144.85 14.55 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.909 2.406 . . . . 0.0 112.627 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 p -78.48 -12.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.744 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 82' ' ' TYR . 84.8 mt -50.51 -18.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -57.49 12.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.476 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.07 -47.59 61.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.86 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 78.2 p -59.76 -36.66 77.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 3.2 m-85 -68.19 177.5 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.1 t90 64.4 -65.38 0.14 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.433 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 94.0 m-20 -60.61 -42.65 97.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -66.14 -33.5 75.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.837 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.05 -42.52 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.9 tmtt? -66.29 -58.72 4.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.512 0.672 . . . . 0.0 110.521 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.06 -21.47 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.6 -56.75 7.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.098 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -52.22 -31.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.335 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.06 -62.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.0 mttt -63.33 -43.83 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.699 ' HZ2' H101 ' A' ' 201' ' ' MYR . 79.2 tttt -59.93 -17.36 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -52.99 -5.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.532 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' LYS . 86.5 t -43.49 -65.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 5.1 m-20 165.02 60.55 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 0.0 110.904 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.1 Cg_endo -91.24 -156.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 123.09 2.527 . . . . 0.0 112.194 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.84 -28.29 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.933 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.9 t -54.39 -44.71 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.168 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.58 -31.86 71.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.76 -52.84 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.255 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.2 -18.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.9 t -91.57 -51.82 11.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.227 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.12 0.486 . . . . 0.0 109.852 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -77.46 -56.78 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.55 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.6 m -62.68 -41.89 99.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -122.98 80.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.25 140.38 58.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.478 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 pt -63.82 -20.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.576 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 117' ' ' ASP . 91.8 mt -91.1 83.9 5.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.502 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -139.57 149.48 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 114' ' ' SER . 4.9 t -72.17 -38.47 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -37.38 -40.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 112' ' ' SER . 87.1 p -75.63 160.04 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.06 -41.09 95.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.409 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 118' ' ' LEU . 12.6 m -127.42 132.89 50.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.045 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.418 ' O ' HD23 ' A' ' 110' ' ' LEU . 57.4 m-20 -64.61 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.307 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' H ' HG22 ' A' ' 116' ' ' THR . 98.4 mt -65.14 -38.91 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 55.59 31.07 16.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.28 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -81.76 126.66 32.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.293 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -123.88 145.43 49.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -129.52 123.88 32.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -118.63 126.85 52.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.383 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 128.91 55.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.509 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.699 H101 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.9 mt-30 -49.05 -40.48 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 110.406 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 98.0 mt-10 -48.34 -10.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.591 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 3' ' ' GLN . 2.2 tt -55.68 -41.41 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -57.82 -38.99 76.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.39 -39.07 91.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.728 ' ND1' H112 ' A' ' 201' ' ' MYR . 81.4 t60 -58.07 -40.74 81.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.496 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.84 -62.38 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.218 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -51.11 -43.01 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.799 ' OH ' HG21 ' A' ' 95' ' ' VAL . 5.0 m-85 -62.24 -51.34 68.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.63 -36.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.377 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.45 -39.99 77.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.585 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.5 -42.85 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -62.23 -41.08 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -62.59 -41.6 99.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.225 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -58.52 -46.02 87.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.837 0.351 . . . . 0.0 111.095 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.27 -52.64 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.598 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 24' ' ' VAL . 48.0 mt -67.42 -29.74 69.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.462 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -59.72 -28.75 67.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.621 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 76.7 p -78.37 -4.14 46.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.828 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.549 HH22 ' CB ' ' A' ' 81' ' ' SER . 81.5 mtp180 -93.81 0.2 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.87 -2.54 32.76 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.66 61.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 O-C-N 123.628 0.252 . . . . 0.0 110.393 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.7 ptmt 36.14 -163.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.18 0.3 . . . . 0.0 110.282 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.04 109.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HD3' HD22 ' A' ' 32' ' ' LEU . 81.1 tttt -123.72 156.87 35.18 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.371 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -83.47 134.23 34.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.238 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.84 -40.41 16.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 25.9 t0 -55.43 -58.04 9.39 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.177 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.23 -60.44 3.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.45 . . . . 0.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' A' ' 27' ' ' LYS . 61.6 tp -48.77 -45.55 40.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.196 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.593 ' HZ1' HD11 ' A' ' 89' ' ' LEU . 79.6 tttt -76.92 -47.66 20.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.373 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 81.0 t80 -51.95 -64.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.42 -50.55 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.485 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.21 -58.0 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -57.53 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.67 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CE2' ' A' ' 34' ' ' PHE . 53.3 t -45.99 -58.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.643 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -63.97 -44.77 91.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 37.2 t0 -61.24 -66.76 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.33 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 50' ' ' THR . 96.0 mt -66.17 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -118.94 78.44 16.33 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.365 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.89 -18.7 8.87 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.641 2.227 . . . . 0.0 112.148 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 2.9 m0 -120.94 -8.76 9.34 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.339 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 19.0 m-85 -136.76 69.46 58.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 0.0 110.493 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.33 1.92 7.84 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.791 2.327 . . . . 0.0 112.371 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.84 -50.53 70.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -103.04 -76.7 0.58 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.78 112.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.0 p -124.4 164.28 20.0 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -79.2 125.24 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -128.86 137.4 51.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.042 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -93.41 -41.62 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.4 -46.61 76.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.494 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 57' ' ' ARG . 93.9 mtt-85 -70.93 -64.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.566 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.449 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 41.9 t90 -43.3 -26.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.857 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 55' ' ' ARG . 76.9 ttt-85 -74.02 -46.64 42.2 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.684 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.68 -50.96 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.028 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.46 -24.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -47.94 62.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.8 t70 -68.81 -41.26 78.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 0.0 110.808 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.9 m -49.86 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.92 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.19 -46.33 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.529 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -53.54 -32.71 51.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.195 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -73.36 -45.84 52.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.55 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.029 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.58 -61.0 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 28.3 m -46.85 -28.07 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.277 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.45 -52.81 50.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.479 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.91 70.8 0.32 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 70.9 Cg_endo -81.07 163.4 20.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.18 2.586 . . . . 0.0 112.622 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -101.7 1.19 37.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -126.63 27.89 6.01 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.45 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.15 100.42 0.23 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.838 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.13 148.47 16.92 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.702 2.268 . . . . 0.0 112.909 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ALA . 10.4 p -75.29 -22.06 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.311 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.33 -21.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.258 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.94 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -46.41 -42.23 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.684 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.549 ' CB ' HH22 ' A' ' 22' ' ' ARG . 19.3 m -59.24 -42.59 91.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.82 173.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.46 -72.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -60.34 -41.27 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.275 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.64 -39.05 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -59.75 -43.22 91.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 0.0 109.889 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.05 -59.28 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.322 0.582 . . . . 0.0 110.886 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -57.74 -20.49 35.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.085 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD11 ' HZ1' ' A' ' 33' ' ' LYS . 2.9 tp -63.05 -57.69 9.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.713 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.22 -34.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.44 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.502 . . . . 0.0 110.688 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.9 mttm -59.86 -41.49 91.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.944 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HZ2' H143 ' A' ' 201' ' ' MYR . 83.3 tttt -64.46 -18.16 64.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -55.81 -5.77 0.18 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 92' ' ' LYS . 79.6 t -43.8 -65.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.091 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 6.0 m-20 166.92 61.45 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 121.355 0.598 . . . . 0.0 111.32 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.9 Cg_endo -90.91 -158.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 123.054 2.503 . . . . 0.0 111.717 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 49.7 tp60 -65.34 -21.45 66.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.273 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.49 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.952 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.3 mmm -70.4 -31.13 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.373 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.14 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.87 -18.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.105 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.43 -52.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.338 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.3 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.207 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -86.01 -58.58 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.58 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 m -63.41 -41.04 98.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -124.36 84.56 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.784 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.15 152.67 44.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.604 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.0 pt -63.84 -24.24 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.479 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 110' ' ' LEU . 96.3 mt -107.05 123.85 48.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 117' ' ' ASP . 57.4 pttt -174.57 -163.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -48.83 -43.45 38.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.11 -39.71 95.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 p -74.03 160.16 31.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.28 -40.49 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.7 p -115.53 145.95 42.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.723 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.469 ' OD2' ' O ' ' A' ' 111' ' ' LYS . 96.8 m-20 -132.03 14.13 4.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.85 18.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -130.06 136.0 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -61.33 -48.87 79.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -129.34 126.15 38.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -90.97 127.64 36.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.278 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -110.85 157.63 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.646 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.519 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.728 H112 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' A' ' 5' ' ' LEU . 85.8 mt-30 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.545 ' CB ' ' H52' ' A' ' 201' ' ' MYR . 70.0 mm-40 -39.05 -18.64 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.099 0 O-C-N 123.219 0.324 . . . . 0.0 110.695 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.4 tt -58.65 -44.07 90.01 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.268 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -59.24 -48.4 81.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.086 0.469 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -65.76 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.266 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.415 ' HD2' H112 ' A' ' 201' ' ' MYR . 11.8 t-160 -66.87 -32.26 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -38.94 93.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -69.65 -44.27 70.9 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.65 -51.49 68.26 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.34 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.35 -46.11 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.4 -35.2 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.696 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -43.44 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -41.31 97.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.091 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -61.66 -40.67 95.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.221 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.8 -42.32 97.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.95 10.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.738 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 65.3 mt -61.45 -25.74 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -65.38 -34.73 79.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.762 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -74.89 -5.0 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -88.82 7.86 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.32 -4.76 31.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.8 p -66.34 151.61 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.613 0.244 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 9.9 ptmt -51.06 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.651 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.7 t -112.92 109.74 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.9 tttt -131.42 151.22 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.505 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -69.61 135.63 50.2 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.274 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.14 -44.57 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.116 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.1 t0 -53.53 -54.17 41.05 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -61.29 2.38 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.064 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 61.8 tp -47.82 -45.15 29.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HZ1' HD21 ' A' ' 89' ' ' LEU . 77.8 tttt -77.25 -50.53 12.68 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.204 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.2 t80 -49.71 -62.69 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -57.94 -52.18 66.57 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.301 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 60.3 t0 -53.34 -59.73 4.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.252 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.28 -57.9 9.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.423 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.6 t -44.33 -56.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -64.39 -41.71 96.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' OD1' HG11 ' A' ' 59' ' ' VAL . 66.5 t0 -64.51 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.14 -43.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -118.91 79.37 17.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -80.0 -20.49 8.78 Favored 'Trans proline' 0 C--N 1.302 -1.875 0 C-N-CA 122.622 2.215 . . . . 0.0 112.385 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -123.47 -2.23 8.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.1 m-85 -141.43 65.51 21.46 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.06 0.457 . . . . 0.0 110.728 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.95 3.9 4.64 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 123.107 2.538 . . . . 0.0 112.191 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.1 -48.51 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.643 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -115.96 -78.5 0.58 Allowed 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.591 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.24 90.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 p -86.74 169.99 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -83.56 124.18 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 90.7 m-20 -137.13 141.0 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.4 mt -93.49 -33.58 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.99 -46.48 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 58' ' ' ARG . 99.5 mtt180 -70.62 -65.71 0.7 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CE3' ' OD2' ' A' ' 40' ' ' ASP . 44.3 t-105 -42.01 -30.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.091 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.69 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 58.4 ttm-85 -71.43 -50.21 34.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 55' ' ' ARG . 85.7 mtm180 -63.24 -52.63 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.556 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.5 t -71.91 -23.02 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.56 -47.09 43.83 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -68.91 -40.6 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 110.717 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.9 m -50.99 -66.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.944 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -63.06 -44.78 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -65.93 -62.78 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.0 t0 -50.35 -37.66 38.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.672 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.13 -45.9 58.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -63.23 -43.32 98.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.747 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -75.5 -61.89 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 31.4 m -45.39 -28.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.42 -54.73 24.41 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.4 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.61 71.07 0.25 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.3 Cg_endo -79.67 160.7 24.93 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.027 2.485 . . . . 0.0 112.439 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -101.63 -2.31 30.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -122.71 27.08 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.47 101.16 0.25 Allowed Pre-proline 0 N--CA 1.452 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.083 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -81.38 150.91 17.44 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.944 2.43 . . . . 0.0 112.549 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.9 p -75.9 -20.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.494 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 92.9 mt -45.37 -21.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -59.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -45.37 -45.29 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 p -57.63 -42.15 82.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.62 178.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.69 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 2.5 t90 71.39 -69.24 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.415 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.12 -41.83 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.21 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.78 -44.66 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.559 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -60.49 -57.09 14.21 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.063 0.459 . . . . 0.0 110.614 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -16.63 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.389 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.579 HD21 ' HZ1' ' A' ' 33' ' ' LYS . 13.9 tp -64.42 -59.13 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.355 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.29 -32.64 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 94.3 m-20 -60.24 -66.72 0.48 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.102 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.9 mttt -51.52 -37.66 50.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' NZ ' ' H71' ' A' ' 201' ' ' MYR . 86.5 tttt -71.39 -13.97 62.02 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-O 121.16 0.505 . . . . 0.0 110.5 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 69.4 tt0 -60.92 -7.31 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.483 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.7 t -44.17 -66.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.769 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 4.5 m-20 165.24 63.62 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 121.691 0.758 . . . . 0.0 110.806 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 13.0 Cg_endo -90.08 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 123.211 2.608 . . . . 0.0 112.047 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 65.1 tp60 -73.43 -16.3 61.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.417 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.85 -45.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.9 mtp -83.58 -25.58 30.79 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.611 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.91 63.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.14 80.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.001 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 104' ' ' ALA . 2.1 t -53.27 -57.56 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.015 -178.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -52.77 -42.58 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.73 -44.5 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 m -63.08 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -138.15 81.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.7 151.61 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' O ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 pt -64.05 -39.77 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -100.94 113.98 27.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -148.99 155.75 41.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' SER . 48.4 t -62.4 -42.58 99.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.776 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 112' ' ' SER . 96.5 p -66.29 164.45 15.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.592 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -42.1 -54.69 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.0 p -139.76 152.16 46.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.57 -34.91 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 118' ' ' LEU . 92.1 mt -64.7 -40.74 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' HIS . 79.1 mt-10 55.11 101.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -66.79 -36.13 81.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.695 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -59.41 -37.37 77.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 119' ' ' GLU . 79.0 m80 -116.0 124.47 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -110.32 123.02 49.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -107.43 137.43 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.616 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.545 ' H52' ' CB ' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 5' ' ' LEU . 99.0 mm-40 -46.18 -42.64 14.33 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.589 ' OE1' ' H72' ' A' ' 201' ' ' MYR . 84.2 tt0 -43.32 -16.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.629 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 3' ' ' GLN . 4.0 tt -53.74 -41.09 66.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -59.26 -44.67 92.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.18 -36.02 82.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.695 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 86.4 t60 -60.49 -39.11 86.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.231 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.24 -62.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -51.76 -46.81 64.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.408 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 5.8 m-85 -60.58 -52.71 64.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.314 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.63 -38.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.416 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.13 -36.2 79.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.693 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.9 mm-40 -66.63 -41.74 87.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.3 -40.33 97.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.269 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 21' ' ' THR . 85.6 mt-30 -56.49 -46.57 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.859 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.71 -54.86 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.8 -30.98 72.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.89 -28.02 68.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 17' ' ' GLN . 72.4 p -79.74 -4.41 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.809 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.424 HH22 ' HB3' ' A' ' 81' ' ' SER . 81.9 mtp180 -91.05 1.87 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.626 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.72 87.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.3 p -63.72 147.13 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.654 0.264 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.42 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.68 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.735 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' CE ' HD22 ' A' ' 32' ' ' LEU . 47.6 tttp -126.72 148.4 49.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.348 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -71.16 130.81 42.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.328 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.21 -40.55 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.617 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.6 t70 -54.45 -56.14 21.71 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.64 -58.56 5.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.447 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' A' ' 27' ' ' LYS . 55.7 tp -49.7 -42.99 47.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.582 ' NZ ' H122 ' A' ' 201' ' ' MYR . 74.9 tttt -80.6 -46.98 14.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 80.5 t80 -53.49 -54.07 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.696 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.32 -50.93 65.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.82 -60.69 3.43 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 61.8 t80 -53.97 -64.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.841 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.96 -58.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.23 -43.55 97.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.885 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.528 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 62.0 t0 -55.51 -67.26 0.3 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.496 -178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.1 pt -72.59 -25.81 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.654 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.2 72.72 78.51 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 111.043 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -79.95 -17.02 11.01 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 122.503 2.136 . . . . 0.0 112.053 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 96.3 m95 -122.09 -3.76 9.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m-85 -144.48 69.06 15.35 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 110.956 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.11 3.81 5.85 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.65 2.233 . . . . 0.0 112.01 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -61.82 -51.75 66.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.621 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -121.89 -79.98 0.62 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.082 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 95.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 p -83.04 160.6 21.91 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.6 pp -76.89 131.91 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 91.0 m-20 -136.73 144.92 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.1 mt -93.58 -35.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.479 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -65.41 -47.63 75.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.1 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 95.7 mtt-85 -71.54 -64.71 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.716 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 53.1 t-105 -42.14 -31.73 0.4 Allowed 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -70.9 -45.44 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.967 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 82.7 mtp180 -64.64 -56.53 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.101 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD1' ' A' ' 40' ' ' ASP . 84.7 t -69.98 -25.92 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 -45.77 74.57 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 10.0 t70 -72.62 -42.76 64.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.0 m -49.99 -64.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.957 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.31 -47.58 81.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.489 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.11 -60.3 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.45 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.1 t0 -54.57 -30.41 54.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.396 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -78.02 -40.04 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.91 0.386 . . . . 0.0 110.955 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -68.4 -39.51 81.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -79.75 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.467 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 41.1 m -46.43 -31.07 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.398 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.61 -52.35 61.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.245 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.515 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.78 69.88 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.515 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.2 Cg_endo -81.64 163.43 18.85 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.15 2.567 . . . . 0.0 112.394 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -100.47 -0.81 37.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.45 . . . . 0.0 110.674 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -124.13 27.65 7.04 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -45.81 102.97 0.32 Allowed Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.098 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -81.7 147.78 15.59 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.75 2.3 . . . . 0.0 112.722 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.52 -24.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.6 mt -46.29 -22.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.324 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.59 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -46.94 -38.23 10.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.568 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' HH22 ' A' ' 22' ' ' ARG . 4.3 p -59.66 -46.39 89.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' ASN . 12.8 m-85 -53.38 -179.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.408 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 t90 65.36 -65.96 0.15 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 82' ' ' TYR . 60.6 m-20 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.05 -34.41 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.33 -43.92 78.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tmtt? -67.07 -57.17 7.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.528 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.548 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 29.7 tp10 -59.42 -22.96 62.23 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.508 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -54.55 22.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.05 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -55.21 -34.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.03 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.99 -63.9 1.14 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.834 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.548 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 59.3 mttp -63.03 -9.99 12.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.529 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.809 ' HZ2' H102 ' A' ' 201' ' ' MYR . 59.5 tttt -91.74 -13.2 31.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -50.67 -6.3 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.037 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 6.7 t -44.31 -68.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.707 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 2.4 t-20 159.96 62.86 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.769 0.668 . . . . 0.0 111.099 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -92.16 -157.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.723 2.282 . . . . 0.0 112.067 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.54 -21.75 62.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.149 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.27 -44.67 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.104 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.1 mtp -67.16 -33.99 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.574 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.86 66.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.51 -22.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.37 -51.59 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.401 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.67 -36.81 79.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.93 -52.14 46.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.599 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 m -62.04 -40.85 97.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.567 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.27 88.53 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.41 162.27 23.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.39 -4.88 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 112' ' ' SER . 61.8 pttt -64.11 -22.56 66.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.435 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 111' ' ' LYS . 0.4 OUTLIER 76.91 -153.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.507 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.81 -41.2 97.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 p -162.18 8.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -83.35 -163.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.9 p -130.6 159.65 36.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -64.42 -35.94 82.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.712 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.67 -40.05 95.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.533 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 57.2 28.4 15.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -120.52 142.24 49.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.479 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -115.33 137.71 51.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 127.23 55.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -140.07 94.14 2.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -110.98 126.19 54.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.506 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.809 H102 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.4 mt-30 -46.89 -39.95 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.728 0.299 . . . . 0.0 110.34 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' OE1' ' H52' ' A' ' 201' ' ' MYR . 97.9 mt-10 -48.53 -9.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.795 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -56.25 -39.9 73.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.099 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -59.23 -44.53 92.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.417 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -64.66 -38.84 92.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.98 -40.03 83.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.6 -62.57 1.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -50.37 -44.43 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.349 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.91 -50.63 72.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.539 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.28 -39.55 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.207 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -66.99 -37.05 83.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 92' ' ' LYS . 94.8 mt-30 -65.97 -40.85 91.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.41 -39.93 95.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -63.41 -41.06 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.063 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.82 -44.56 90.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.65 -52.44 65.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' HG12 ' A' ' 24' ' ' VAL . 95.6 mt -65.28 -29.41 70.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 0.0 110.366 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.27 -29.79 70.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 78.8 p -76.27 -5.37 46.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.781 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.572 HH22 ' CB ' ' A' ' 81' ' ' SER . 97.8 mtt180 -93.85 -1.71 54.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.357 . . . . 0.0 110.655 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.33 -1.09 36.93 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.8 p -63.58 63.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 18.8 ptmt 36.85 -162.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.45 112.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.287 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HD3' HD11 ' A' ' 32' ' ' LEU . 84.4 tttt -131.24 149.24 52.66 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.256 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -71.58 134.04 46.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -40.8 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -44.65 -48.78 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.853 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.29 -49.87 65.62 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.415 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD11 ' HD3' ' A' ' 27' ' ' LYS . 89.3 mt -52.84 -50.02 64.55 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.152 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -75.11 -47.52 28.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.315 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 38' ' ' VAL . 83.1 t80 -52.41 -60.92 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.277 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 16.2 t80 -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.286 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.7 -63.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.73 -60.89 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.464 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 59.1 t -45.66 -50.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.975 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HZ2' ' HE2' ' A' ' 35' ' ' PHE . 95.8 mttt -80.21 -21.62 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.188 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.52 -68.66 0.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 112.123 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -94.54 -3.92 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -131.98 54.67 14.77 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-O 121.419 0.628 . . . . 0.0 110.476 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 50.6 Cg_endo -70.76 -20.79 29.7 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.269 1.979 . . . . 0.0 111.914 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 90.3 m95 -120.22 -6.86 9.88 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 5.4 m-85 -137.68 71.33 51.01 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.453 . . . . 0.0 110.677 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -78.19 -3.94 13.87 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -62.12 -51.62 67.17 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.505 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -122.21 -78.73 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.971 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.95 102.0 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -78.88 169.41 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.7 pp -92.0 127.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.557 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -133.65 138.35 45.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.233 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.75 -28.51 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.944 0.402 . . . . 0.0 110.469 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -64.94 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -74.53 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.752 -0.379 . . . . 0.0 109.985 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -43.26 -39.19 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 109.774 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.739 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 42.2 ttm180 -69.68 -44.57 70.17 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.675 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 75.4 ttt180 -67.41 -57.75 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.297 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.76 -27.67 41.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.76 -46.95 64.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 65' ' ' ASP . 20.2 t70 -70.81 -39.37 73.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 76.2 m -53.22 -65.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.927 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.04 -41.87 99.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.557 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.86 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 57.5 tt0 -69.31 -59.97 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.355 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -55.68 -24.7 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.306 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -85.74 -45.08 11.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.01 -41.37 97.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -76.0 -59.24 2.85 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 94.6 m -46.95 -29.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.373 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.06 -54.54 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.38 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.92 69.1 0.18 Allowed Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.494 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 68.0 Cg_endo -79.57 163.09 24.39 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.115 2.543 . . . . 0.0 112.186 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -100.63 -5.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.02 33.29 5.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -45.61 100.97 0.24 Allowed Pre-proline 0 C--N 1.33 -0.269 0 O-C-N 123.47 0.482 . . . . 0.0 109.906 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -82.5 145.09 13.07 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.909 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.7 p -77.45 -20.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -44.68 -23.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.401 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -56.72 -61.64 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.278 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -44.99 -41.97 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.606 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.572 ' CB ' HH22 ' A' ' 22' ' ' ARG . 15.3 m -60.15 -43.33 95.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.766 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.6 172.0 0.27 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.739 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 7.6 t90 71.75 -61.35 0.49 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.11 -41.98 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.589 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.35 -34.75 79.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.735 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.28 -42.36 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -65.2 -63.03 1.2 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -53.95 -22.96 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.26 -49.18 62.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.5 tt -57.07 -34.13 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.406 0.622 . . . . 0.0 109.959 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -62.19 -62.86 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 86.6 tttt -55.76 -30.05 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.947 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.994 ' HZ1' ' H81' ' A' ' 201' ' ' MYR . 6.0 mmtt -62.67 -28.49 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.508 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -42.93 -14.16 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 99.9 t -48.46 -64.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.081 -0.387 . . . . 0.0 111.33 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.515 ' CG ' HG12 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 164.55 66.49 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.654 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -94.7 -169.38 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 123.54 2.826 . . . . 0.0 112.051 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.09 -24.08 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.191 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.85 -44.34 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.083 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mmm -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.12 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.61 -20.18 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.378 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -91.49 -51.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.363 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.85 70.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.112 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -80.78 -58.67 2.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.3 m -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -124.33 83.19 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.89 167.35 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.35 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.3 pt -89.45 -6.24 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.58 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.96 -41.02 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.751 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 112' ' ' SER . 64.6 pttt -61.73 -36.87 82.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 111' ' ' LYS . 0.7 OUTLIER 75.42 -164.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -62.99 -41.02 99.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.4 t -166.62 55.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -135.85 165.99 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.731 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.3 p -85.48 167.51 15.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -64.8 -33.83 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.76 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 122' ' ' HIS . 96.3 mt-10 57.17 86.97 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -65.99 -40.63 91.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.686 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -56.65 -42.42 78.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 119' ' ' GLU . 76.0 m80 -109.05 121.22 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.404 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -119.91 116.93 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.599 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -105.62 150.13 25.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.499 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.543 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.994 ' H81' ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.496 ' C ' ' H ' ' A' ' 5' ' ' LEU . 98.3 mm-40 -46.55 -38.76 9.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.687 0.28 . . . . 0.0 110.358 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -50.09 -9.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.8 tt -55.23 -38.01 67.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -59.35 -41.43 89.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.12 -37.5 87.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.388 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.459 ' CE1' H111 ' A' ' 201' ' ' MYR . 31.7 t60 -57.57 -42.29 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.23 -61.6 2.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.161 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -49.83 -45.15 49.87 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.281 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.64 -50.32 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.879 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.68 -39.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.69 -38.05 83.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.47 -41.5 96.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.3 mm? -64.11 -39.94 95.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.658 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.1 -42.34 99.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -60.31 -43.64 96.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.73 -53.19 60.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' O ' HG12 ' A' ' 24' ' ' VAL . 90.2 mt -65.74 -28.36 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.02 -29.07 70.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.798 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 64.7 p -78.17 -5.45 51.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.886 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -91.98 1.5 57.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 70.43 -2.4 15.53 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.99 62.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.4 ptmt 35.4 -162.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -111.89 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.303 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 32' ' ' LEU . 84.7 tttt -122.39 155.84 35.22 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.74 133.64 35.15 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.39 -42.3 12.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.711 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.3 t0 -48.91 -48.43 42.56 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.769 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.32 -60.68 3.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.954 0.406 . . . . 0.0 111.196 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 27' ' ' LYS . 94.0 mt -47.83 -45.93 30.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.36 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -76.76 -47.55 21.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.198 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.5 t80 -52.56 -62.13 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.48 -51.61 68.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.906 0.384 . . . . 0.0 111.418 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 29.6 t0 -52.59 -58.75 5.78 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ILE . 11.4 m-85 -63.1 -54.18 41.93 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.5 t -48.46 -60.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.045 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.9 -43.03 97.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 5.8 t0 -64.87 -67.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.25 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' PHE . 95.8 mt -64.45 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.514 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.1 m -119.24 78.83 18.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.192 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.24 -23.38 7.59 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.605 2.203 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -121.54 -2.54 9.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 63.3 m-85 -139.89 64.31 27.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.68 0.61 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.888 2.392 . . . . 0.0 111.98 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.84 -50.45 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -95.11 -77.24 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.303 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 112.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -123.56 170.3 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -91.99 126.57 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -135.56 139.09 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.865 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 86' ' ' ILE . 76.9 mt -94.2 -40.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.862 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.84 -44.53 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 111.03 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' N ' ' A' ' 57' ' ' ARG . 35.4 ttm180 -68.7 -65.45 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -44.66 -22.51 0.08 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.261 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 55' ' ' ARG . 74.8 ttt180 -73.56 -46.58 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.843 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -62.94 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.03 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.55 -22.77 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.78 -48.12 51.23 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.7 t70 -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.9 m -50.3 -64.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.859 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.06 -47.6 82.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.09 -60.47 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.364 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 40.1 t0 -53.76 -35.21 61.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -74.39 -45.49 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.922 0.392 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.68 -41.05 96.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.6 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 32.4 m -47.22 -28.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.76 -52.03 62.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.87 69.78 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.6 Cg_endo -76.85 163.32 31.41 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.897 2.398 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -101.03 -5.19 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.798 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -123.21 33.42 5.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.353 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -46.01 102.0 0.28 Allowed Pre-proline 0 CA--C 1.531 0.233 0 O-C-N 123.455 0.472 . . . . 0.0 109.816 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 152.62 15.24 Favored 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 122.972 2.448 . . . . 0.0 112.815 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 79' ' ' ALA . 11.2 p -78.01 -23.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 74.9 mt -45.39 -22.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -55.6 -62.81 1.44 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -47.56 -43.85 25.58 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.485 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.9 p -60.23 -41.0 92.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.32 172.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 69.47 -65.57 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.773 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -59.7 -42.42 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.218 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.17 -37.38 87.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.815 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 HG12 ' A' ' 53' ' ' ILE . 25.2 mm -53.49 -48.88 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.45 -54.8 38.7 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.588 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -56.66 -24.45 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.273 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.818 HD21 H132 ' A' ' 201' ' ' MYR . 10.8 tp -64.5 -57.56 8.87 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.908 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 3.8 tt -52.33 -36.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 82.9 m-20 -57.37 -63.59 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.18 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -56.16 -37.54 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.889 ' HZ1' H102 ' A' ' 201' ' ' MYR . 5.2 mttp -64.71 -18.7 65.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -45.43 -12.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.566 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 40.4 t -47.54 -64.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.083 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 5.9 m-80 166.97 68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.309 0 CA-C-O 121.335 0.588 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -90.7 -173.18 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.096 2.53 . . . . 0.0 112.149 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.475 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.94 -44.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.364 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.59 -32.15 71.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.44 71.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.96 -17.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.185 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 t -92.93 -52.24 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.313 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.76 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.977 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -83.61 -57.18 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.7 m -59.56 -40.89 88.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' OE2' ' NZ ' ' A' ' 111' ' ' LYS . 70.6 mm-40 -124.94 80.17 1.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.755 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.512 ' OE2' HD12 ' A' ' 110' ' ' LEU . 97.7 mt-10 -65.98 166.05 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 pt -90.3 -2.32 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.344 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 ' OE2' ' A' ' 108' ' ' GLU . 98.1 mt -63.74 -41.78 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.442 ' NZ ' ' OE2' ' A' ' 107' ' ' GLU . 45.6 pttt -59.88 135.27 57.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.212 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 -153.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -62.47 -41.45 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.303 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.6 p -152.63 34.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -132.61 153.76 50.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 117' ' ' ASP . 37.8 m -80.69 167.14 20.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.59 ' N ' HG22 ' A' ' 116' ' ' THR . 23.5 t0 -56.11 -45.6 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.47 -27.19 68.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 57.24 33.44 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -140.82 139.76 34.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.492 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -111.62 145.5 39.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -104.31 122.41 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -105.53 136.63 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.442 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -105.99 132.56 51.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.596 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.889 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.808 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.546 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.8 mt-30 -45.91 -45.75 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.699 0.285 . . . . 0.0 110.873 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 98' ' ' GLN . 52.6 mp0 -48.19 -8.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.858 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' A' ' 3' ' ' GLN . 1.8 tt -60.49 -42.16 95.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -56.82 -44.48 82.08 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.266 0.555 . . . . 0.0 110.137 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.62 -35.71 80.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.137 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.585 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 85.6 t60 -63.09 -30.72 71.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.54 -60.36 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -55.21 -45.27 75.91 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -60.98 -52.68 63.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.27 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -43.89 -35.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -71.18 -34.21 70.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 29.4 mm100 -69.72 -42.65 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.56 -40.54 97.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -63.58 -38.45 91.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.09 -43.65 91.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 111.034 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 -54.4 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.446 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.4 mt -63.86 -23.26 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.0 110.363 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -69.85 -4.62 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.759 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -92.17 2.2 56.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 0.5 63.5 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.5 p -72.06 150.68 8.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.442 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.5 ptmt -51.04 -164.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.385 0.428 . . . . 0.0 110.601 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -109.14 97.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -100.07 130.89 46.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.166 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -69.69 132.65 46.48 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.958 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -90.97 -39.48 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.53 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -54.98 -62.01 1.93 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.07 -60.33 2.92 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -50.62 -40.28 52.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HZ1' HD21 ' A' ' 89' ' ' LEU . 78.1 tttt -81.65 -48.05 12.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.108 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.6 t80 -51.55 -56.41 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.486 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.542 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.05 -58.15 8.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.356 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE2' ' CH2' ' A' ' 56' ' ' TRP . 15.7 m-85 -61.87 -56.39 19.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.443 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.4 t -41.5 -45.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.1 -21.9 36.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.38 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 40.5 t0 -70.0 -68.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.155 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 50' ' ' THR . 2.0 pt -89.04 -7.86 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.627 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -131.85 57.29 29.11 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 121.748 0.785 . . . . 0.0 110.79 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.74 -25.32 20.53 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.15 1.9 . . . . 0.0 112.251 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.433 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 6.1 m-90 -120.32 3.5 10.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 7.4 m-85 -145.82 67.61 12.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.62 -1.64 11.77 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -62.21 -50.55 71.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.459 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -121.92 -78.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.875 0.369 . . . . 0.0 110.156 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.8 103.42 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.7 p -86.38 162.34 18.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.468 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.3 pp -81.51 135.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.767 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' A' ' 51' ' ' ILE . 97.4 m-20 -139.03 143.21 38.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.9 -33.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.089 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -45.58 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.6 mtt180 -76.49 -63.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.602 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.64 ' CH2' ' CE2' ' A' ' 37' ' ' PHE . 71.5 t-105 -42.03 -35.1 0.81 Allowed 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.672 ' NH2' ' NE1' ' A' ' 83' ' ' TRP . 57.7 ttm-85 -71.4 -44.61 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.252 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 68.3 ttt180 -63.76 -57.45 9.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.476 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.472 HG11 ' OD2' ' A' ' 40' ' ' ASP . 55.1 t -68.62 -24.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -50.25 35.15 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.0 t70 -67.76 -43.74 79.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 82.9 m -48.47 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.14 -46.98 81.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.271 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -61.82 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -50.21 -36.41 30.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -70.64 -45.84 64.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -62.46 -44.1 97.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -74.82 -61.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.253 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 49.2 m -44.81 -29.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.324 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.44 -52.44 58.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.586 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 120.85 70.7 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.8 Cg_endo -79.5 161.5 25.2 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.075 2.517 . . . . 0.0 112.223 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -100.21 0.61 40.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -126.28 28.76 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.414 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -46.57 102.89 0.33 Allowed Pre-proline 0 CA--C 1.532 0.265 0 O-C-N 123.803 0.69 . . . . 0.0 110.097 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.74 153.12 17.36 Favored 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.794 2.33 . . . . 0.0 112.719 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.16 -13.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.412 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 82.8 mt -48.52 -22.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -56.53 -62.69 1.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.37 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -42.19 -41.45 2.7 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.168 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.323 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 3.8 t80 -59.86 167.83 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.107 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.689 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 3.2 t90 80.27 -74.19 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.65 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.19 -40.79 95.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD23 ' OE1' ' A' ' 88' ' ' GLU . 31.4 mt -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.501 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.6 -44.15 84.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.776 0.322 . . . . 0.0 110.231 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.01 -54.54 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.329 0.585 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE1' HD23 ' A' ' 85' ' ' LEU . 2.4 pt-20 -61.64 -19.45 62.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 0.0 110.258 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.839 HD23 H143 ' A' ' 201' ' ' MYR . 1.4 tp -65.3 -58.6 5.51 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.676 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.51 -34.39 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.362 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -58.66 -64.38 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 95' ' ' VAL . 88.6 tttt -61.91 -42.05 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.588 ' HZ2' H101 ' A' ' 201' ' ' MYR . 60.2 tttt -62.95 -12.76 27.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.513 . . . . 0.0 110.743 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.33 -3.7 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.555 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 92' ' ' LYS . 95.8 t -44.36 -64.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.91 -178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.519 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 m-20 163.58 60.04 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 0.0 110.808 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.54 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.986 2.458 . . . . 0.0 112.238 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.438 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 57.6 tp60 -64.59 -21.86 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.218 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.26 -44.91 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.39 -29.79 68.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.13 -48.35 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.701 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.97 -16.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.2 t -91.59 -51.86 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.352 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -28.18 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -77.55 -53.59 7.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.7 m -61.31 -40.1 92.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -133.42 85.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.82 158.33 32.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.663 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.74 -40.58 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.35 121.26 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.298 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' HG3' ' H ' ' A' ' 114' ' ' SER . 50.4 pttt -157.86 160.09 37.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -61.79 -41.74 98.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -52.22 -41.41 62.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 116' ' ' THR . 22.1 m -77.62 82.32 4.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.452 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 48.55 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' SER . 54.8 p -133.2 155.96 48.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.38 -36.06 82.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.4 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.96 -39.73 90.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.38 95.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.659 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -118.32 146.03 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -112.49 127.19 55.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.546 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -115.65 120.24 38.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.603 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' HIS . 42.3 p-80 -111.68 153.9 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 124' ' ' HIS . 71.6 m80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.839 H143 HD23 ' A' ' 89' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' LEU . 87.4 mt-30 -45.91 -44.48 14.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.588 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.566 ' OE1' ' H52' ' A' ' 201' ' ' MYR . 79.5 tt0 -43.68 -16.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.043 0.449 . . . . 0.0 110.594 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.8 tt -56.68 -40.8 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -57.74 -43.88 85.67 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.3 -39.35 89.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.441 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.719 ' ND1' H112 ' A' ' 201' ' ' MYR . 83.9 t60 -57.47 -37.45 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.146 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.14 -62.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.2 -47.18 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.571 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.52 -50.61 72.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.481 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.27 -40.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 0.0 110.361 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.66 -33.9 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -69.0 -40.9 78.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.17 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.5 mm? -64.71 -40.41 95.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -62.85 -43.21 99.4 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -57.55 -47.31 82.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.345 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.58 -52.91 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.709 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.26 -30.32 70.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.1 p -58.11 -48.15 81.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -58.98 -13.92 7.86 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.034 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 79.92 9.11 87.08 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.774 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.4 p -59.15 67.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 23' ' ' GLY . 15.6 ptmt 37.52 -170.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.388 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.3 t -112.81 99.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HE2' HD11 ' A' ' 32' ' ' LEU . 47.4 tttt -114.07 172.09 7.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.326 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 79.4 m-85 -103.18 130.97 50.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.042 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.85 -41.24 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.895 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 37.7 t0 -53.86 -52.19 61.23 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.522 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.5 -56.78 11.85 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.604 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD11 ' HE2' ' A' ' 27' ' ' LYS . 97.0 mt -53.99 -42.44 69.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -78.98 -48.16 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 81.2 t80 -56.32 -52.28 65.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.777 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.73 -50.85 67.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 m-20 -56.4 -54.63 43.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.816 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.36 -50.78 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.899 0.381 . . . . 0.0 111.05 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 34' ' ' PHE . 38.3 t -49.52 -55.29 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -65.77 -44.09 86.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 63.2 t0 -62.54 -67.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.238 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' NH2' ' A' ' 55' ' ' ARG . 95.8 mt -63.54 -42.51 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -120.71 79.07 30.69 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.295 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -79.89 -22.51 7.46 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.631 2.22 . . . . 0.0 112.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -120.88 2.18 10.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.281 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 71.7 m-85 -147.85 65.81 9.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.623 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.85 1.46 7.63 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.956 2.437 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -64.06 -46.44 84.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -105.25 -78.11 0.58 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.795 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 109.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -107.98 170.99 7.65 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -92.85 124.61 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.385 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 92.7 m-20 -136.91 138.93 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -94.55 -38.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.13 -43.32 82.7 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 41' ' ' ILE . 71.6 ttt180 -72.03 -65.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.442 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -44.57 -23.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.045 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 55' ' ' ARG . 65.5 ttp85 -74.52 -46.92 36.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.54 -50.71 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.024 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.32 -22.69 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.05 -45.03 86.39 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.3 t70 -71.42 -41.0 70.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.073 0.463 . . . . 0.0 110.93 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.19 -65.44 0.56 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.5 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -62.9 -46.52 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.42 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.59 -60.62 3.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.08 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.2 t0 -51.11 -23.74 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.038 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -84.19 -41.16 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.49 -42.96 99.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -70.56 -59.33 2.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -51.46 -17.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 81.2 t80 -85.53 4.26 36.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.82 73.81 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.7 157.52 24.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.964 2.443 . . . . 0.0 112.089 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -100.93 -4.54 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -119.63 28.17 8.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.14 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.3 p -46.21 102.72 0.32 Allowed Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 123.426 0.454 . . . . 0.0 109.946 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -81.6 146.65 15.24 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.549 2.166 . . . . 0.0 112.723 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.85 -24.08 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.522 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -48.32 -24.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.272 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.97 -62.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.293 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -48.31 -42.2 30.41 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.52 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 t -59.57 -42.11 91.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.1 m-85 -59.51 -178.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.703 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 67.18 -69.57 0.13 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.627 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' TYR . 71.8 m-20 -60.38 -41.16 93.21 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.201 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD23 ' CD ' ' A' ' 88' ' ' GLU . 19.1 mt -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.879 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.55 -45.49 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.214 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.64 -56.29 23.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.438 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -59.32 -20.5 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 -179.395 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' CD2' H143 ' A' ' 201' ' ' MYR . 2.8 tp -64.54 -54.4 32.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.7 tt -58.52 -31.91 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.826 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.71 -64.34 0.97 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.702 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.79 -39.66 85.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.607 ' HZ2' H101 ' A' ' 201' ' ' MYR . 86.0 tttt -67.18 -13.93 62.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.272 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -60.9 -6.51 1.85 Allowed 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.331 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.897 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -43.46 -64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.366 -177.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.897 ' H ' HG13 ' A' ' 95' ' ' VAL . 6.0 m-20 166.43 59.69 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 111.037 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.85 -161.64 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.772 2.315 . . . . 0.0 111.244 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -19.75 66.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.65 -46.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.009 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.436 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 87.2 mtp -72.15 -33.01 67.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.434 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -59.12 -50.56 73.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -48.35 -17.31 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.099 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 105' ' ' GLN . 11.4 t -101.57 -50.04 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.689 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.76 15.73 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 103' ' ' VAL . 87.5 mt-30 -136.59 -48.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 24.1 m -68.73 -18.88 64.31 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.585 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 57.79 69.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.57 152.14 44.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.8 pt -73.05 -16.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.62 -39.66 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.277 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 112' ' ' SER . 45.7 pttt -59.1 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.19 0.519 . . . . 0.0 110.138 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 9.5 m 50.19 -109.65 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.473 ' ND2' ' OE1' ' A' ' 119' ' ' GLU . 91.2 m-20 -66.51 -41.23 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 111.259 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 111' ' ' LYS . 37.5 p -156.46 164.78 37.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.576 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' SER . 86.7 mt-30 -38.93 -32.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.09 121.23 25.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.64 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -71.41 -35.75 71.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.659 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.78 -39.97 95.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.525 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.473 ' OE1' ' ND2' ' A' ' 113' ' ' ASN . 96.7 mt-10 58.46 11.92 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -81.53 134.26 35.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -67.32 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -137.87 106.85 5.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -112.28 157.14 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.3 m80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.578 179.723 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.719 H112 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' N ' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.535 ' C ' ' H ' ' A' ' 5' ' ' LEU . 89.0 mt-30 -42.42 -23.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.583 ' OE1' ' H21' ' A' ' 201' ' ' MYR . 56.7 mp0 -53.28 -4.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -70.86 -44.57 66.12 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -72.88 -31.91 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' OE1' HG11 ' A' ' 95' ' ' VAL . 89.2 mt-30 -68.46 -44.6 74.5 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -58.95 -46.8 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.491 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.23 -56.62 9.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -52.52 -43.83 65.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -58.12 -59.1 5.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.613 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -42.15 -38.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.486 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.73 -32.74 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 11' ' ' TYR . 84.0 mt-30 -70.77 -45.88 63.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.35 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.0 mm? -60.42 -39.74 88.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.14 -40.54 97.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.83 -44.97 91.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.58 -57.88 9.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.702 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.7 -25.19 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.287 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -63.71 -33.57 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 71.5 p -70.65 -11.12 60.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.736 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -85.92 -1.47 57.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.51 3.38 88.79 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -66.01 149.15 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' VAL . 7.0 ptmt -50.47 -169.38 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -109.17 105.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -123.38 174.97 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' LEU . 93.0 m-85 -97.95 134.35 41.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.231 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.16 -44.36 11.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.417 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 30.1 t0 -53.38 -54.64 33.73 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.219 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.99 -61.57 2.3 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.727 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 28' ' ' TYR . 18.8 mt -49.97 -43.78 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.684 ' NZ ' H132 ' A' ' 201' ' ' MYR . 75.4 tttt -77.16 -50.54 12.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.343 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 52.3 t80 -48.69 -63.44 1.09 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.426 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.65 -50.25 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.29 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 97.3 m-20 -57.77 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.581 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ASP . 12.7 m-85 -57.27 -63.05 1.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.389 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' CYS . 72.2 t -42.62 -49.35 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -73.21 -21.29 60.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.2 t0 -80.93 -68.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.496 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -68.02 -42.24 85.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -117.84 75.9 10.56 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 111.344 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.64 -20.81 13.42 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.411 2.074 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.537 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 85.4 m95 -124.85 8.28 8.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.339 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 33.7 m-85 -150.87 63.53 5.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.55 3.33 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.044 2.496 . . . . 0.0 112.075 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.08 -48.15 81.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -112.89 -76.69 0.59 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.446 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 103.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.61 131.81 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 51' ' ' ILE . 2.7 pp -46.32 129.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.508 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -131.64 139.68 49.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 86' ' ' ILE . 48.8 mt -94.07 -38.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.445 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.78 -44.88 92.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ARG . 82.5 mtt85 -73.27 -65.17 0.84 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.898 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 43.4 t-105 -41.71 -28.13 0.13 Allowed 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 67.2 ttp85 -73.08 -47.79 41.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.753 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ARG . 87.1 mtm180 -64.31 -55.93 17.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.914 0.387 . . . . 0.0 111.044 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG11 ' OD2' ' A' ' 40' ' ' ASP . 73.7 t -69.64 -23.06 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.744 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.8 -48.1 51.23 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.7 t70 -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 110.616 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.8 m -52.63 -67.28 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -60.79 -45.49 94.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.747 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -64.58 -62.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.6 t0 -52.48 -25.02 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -84.34 -42.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -62.36 -42.35 99.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -69.37 -59.73 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -50.28 -23.0 2.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 87.5 t80 -79.71 4.04 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.66 75.2 0.22 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -78.45 160.79 28.7 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.052 2.501 . . . . 0.0 112.365 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -100.11 -5.98 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.33 33.53 5.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -45.92 102.12 0.29 Allowed Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.743 0.652 . . . . 0.0 110.238 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -82.51 144.92 12.97 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.907 2.405 . . . . 0.0 112.537 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.22 -20.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.7 mt -51.83 -22.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.327 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -57.83 -64.39 0.92 Allowed 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -42.17 -32.39 0.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -61.43 -35.44 77.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -53.52 165.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.616 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.2 t90 69.55 -57.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.41 -36.29 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 53' ' ' ILE . 18.0 mm -56.93 -45.14 83.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.412 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.6 tmtt? -67.71 -59.71 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.721 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.59 -19.99 12.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.96 -54.25 10.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.27 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.9 tt -54.76 -36.56 37.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 88.6 m-20 -59.36 -63.99 1.11 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.18 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.41 -10.84 8.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.09 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.633 ' NZ ' H101 ' A' ' 201' ' ' MYR . 51.5 tttt -89.51 -10.34 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' ASN . 24.0 tp10 -47.97 -8.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 93' ' ' LYS . 3.4 p -45.26 -17.59 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.609 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 94' ' ' GLU . 6.3 m-80 81.68 64.55 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.486 0.491 . . . . 0.0 111.387 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 59.2 Cg_endo -90.57 -129.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.392 2.728 . . . . 0.0 111.873 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.423 ' H ' ' HB2' ' A' ' 97' ' ' PRO . 63.1 tp60 -72.7 -25.87 61.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.16 -43.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.313 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.5 mmm -73.38 -26.11 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.457 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -70.2 -47.65 60.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.243 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -12.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.252 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 101' ' ' ALA . 7.1 t -98.39 -51.13 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -13.57 46.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -101.66 -59.25 1.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.675 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -60.8 -41.65 96.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -124.58 87.01 2.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.637 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 141.23 51.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 pt -68.46 -14.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.49 -40.88 98.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' SER . 32.1 pttt -62.21 -31.9 72.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.231 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 m 52.85 -143.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.728 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 111' ' ' LYS . 5.3 p -84.54 -177.65 6.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.487 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -106.54 5.93 29.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.422 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 m -113.01 136.09 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.62 -27.15 58.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.55 -41.65 98.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 122' ' ' HIS . 95.6 mt-10 51.22 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -59.81 -41.92 92.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.713 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.7 m-70 -103.36 117.63 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.434 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -137.76 101.02 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -112.78 140.76 47.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.9 t60 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.527 179.81 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.684 H132 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.2 mt-30 -44.26 -47.06 9.36 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.384 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' H52' ' A' ' 201' ' ' MYR . 86.6 tt0 -42.33 -16.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.919 0.39 . . . . 0.0 110.734 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.3 tt -58.12 -43.04 86.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -58.07 -43.94 87.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.07 -41.02 91.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.305 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -58.58 -38.05 77.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.995 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -59.4 -61.71 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -52.85 -43.57 66.14 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.2 -50.76 71.8 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.26 -36.68 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.263 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.95 -36.71 75.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.13 -42.84 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.221 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -61.35 -38.86 88.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.16 -47.79 82.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.57 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.804 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.651 ' O ' HG12 ' A' ' 24' ' ' VAL . 69.1 mt -57.84 -27.45 63.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.541 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.27 -31.59 72.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.689 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.3 p -74.27 -15.71 60.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -79.07 2.35 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 1.44 65.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 19' ' ' LEU . 4.4 p -67.34 154.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.867 0.365 . . . . 0.0 110.684 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 ptmt -54.42 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.532 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.55 105.21 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 85.8 tttt -125.92 148.31 49.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.463 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -71.54 134.25 46.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.01 -42.02 14.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.465 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -53.87 -54.63 35.91 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.037 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 11.2 mp -63.26 -59.39 4.8 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.351 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 49.7 tp -49.52 -45.05 46.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.731 ' HZ1' H142 ' A' ' 201' ' ' MYR . 70.1 tttt -77.96 -47.52 18.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.051 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 38' ' ' VAL . 69.1 t80 -55.21 -50.38 69.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.484 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.4 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.748 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -55.8 -56.06 25.0 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.01 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 41' ' ' ILE . 44.4 t80 -55.85 -62.8 1.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.915 0.388 . . . . 0.0 111.883 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.5 t -43.81 -59.11 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.432 -177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -65.65 -37.76 87.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.694 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -63.94 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 37' ' ' PHE . 2.2 mt -67.59 -43.08 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.251 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -115.87 78.94 7.56 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 121.107 0.48 . . . . 0.0 111.393 -179.384 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -79.46 -24.29 6.53 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.374 2.049 . . . . 0.0 112.03 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 4.4 m0 -122.95 5.59 9.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.386 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 11.3 m-85 -147.2 66.42 10.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.695 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -77.34 1.44 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.854 2.37 . . . . 0.0 111.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -62.85 -50.84 69.34 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -115.9 -78.79 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.133 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.88 104.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 p -97.83 163.24 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.619 ' CG2' H101 ' A' ' 201' ' ' MYR . 2.0 pp -80.53 131.99 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NE ' ' A' ' 55' ' ' ARG . 97.4 m-20 -135.31 140.52 45.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.3 mt -93.57 -41.09 12.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.422 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 -45.94 80.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ARG . 52.3 mtm-85 -71.95 -64.42 0.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.645 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -43.04 -25.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -73.47 -46.12 50.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ARG . 10.7 mmm-85 -64.24 -51.65 62.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.859 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.35 -23.71 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 0.0 110.351 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.8 -48.71 53.78 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 65' ' ' ASP . 27.7 t70 -65.79 -38.16 88.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.2 m -53.82 -67.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.855 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.49 -40.44 97.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.14 -62.56 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.939 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.2 t0 -53.85 -22.97 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -82.53 -42.17 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.695 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 62.6 t80 -64.12 -41.7 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -69.26 -59.95 2.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -50.27 -20.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.395 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.2 t80 -82.93 4.48 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.93 74.03 0.33 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 57.9 Cg_endo -78.82 158.72 27.83 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.954 2.436 . . . . 0.0 112.283 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -99.99 -4.02 30.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.62 31.97 5.75 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.306 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.685 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.7 p -47.02 102.91 0.33 Allowed Pre-proline 0 CA--C 1.532 0.264 0 O-C-N 123.389 0.431 . . . . 0.0 110.239 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.29 145.05 13.36 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.665 2.243 . . . . 0.0 112.769 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.8 p -75.81 -23.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.347 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -46.03 -19.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.403 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -60.49 -60.28 4.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.4 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -45.49 -41.11 9.2 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.402 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 p -62.15 -44.99 95.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.4 m-85 -54.2 178.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 13.5 t90 65.68 -64.53 0.19 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' TYR . 70.0 m-20 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 85' ' ' LEU . 82.1 mt -67.03 -34.13 77.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.858 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.39 -44.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.208 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -66.0 -56.69 10.34 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.594 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.6 -21.37 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.445 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.41 -55.0 13.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -53.76 -33.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.011 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 91.0 m-20 -58.55 -62.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.521 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . 96.9 mttt -64.17 -40.9 97.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HZ2' H101 ' A' ' 201' ' ' MYR . 81.0 tttt -62.89 -15.44 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.176 0.512 . . . . 0.0 111.057 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 10.9 pt-20 -55.31 -3.68 0.07 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.947 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 93' ' ' LYS . 14.9 t -45.75 -69.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.02 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.521 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 27.9 t30 170.04 60.18 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.482 0 O-C-N 123.587 0.554 . . . . 0.0 110.647 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.3 Cg_endo -91.07 -158.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 123.448 2.765 . . . . 0.0 112.028 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.81 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.313 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.18 -44.33 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.179 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.01 -31.84 70.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.58 -47.63 69.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.749 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -16.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.8 t -92.46 -51.4 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.501 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 -25.36 68.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.245 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.19 -59.63 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.8 m -61.2 -40.91 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.509 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.99 77.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.26 152.15 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.473 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 pt -76.05 -15.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.87 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.25 -40.89 98.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.506 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -64.87 142.57 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 116' ' ' THR . 38.9 m -97.82 -132.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.238 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.34 -40.77 97.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -152.21 96.1 2.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.453 ' O ' ' OG1' ' A' ' 116' ' ' THR . 59.4 tt0 38.0 77.16 0.05 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.629 HG22 ' H ' ' A' ' 118' ' ' LEU . 3.9 m -168.61 144.24 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.439 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -100.52 2.45 41.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.685 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.629 ' H ' HG22 ' A' ' 116' ' ' THR . 85.4 mt -63.2 -41.72 99.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.65 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 122' ' ' HIS . 99.7 mt-10 54.69 99.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -66.23 -40.7 90.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -60.44 -47.12 87.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 119' ' ' GLU . 58.3 m80 -92.79 150.31 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -104.85 132.91 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.463 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -111.32 147.33 35.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.528 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.731 H142 ' HZ1' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.2 mt-30 -43.94 -42.28 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' OE2' ' H81' ' A' ' 201' ' ' MYR . 84.7 tt0 -41.39 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.547 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.7 tt -56.16 -41.3 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.187 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -61.46 -42.14 98.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.647 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.41 -37.47 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.768 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 84.7 t60 -58.04 -40.9 82.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.16 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.64 -62.7 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.28 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -50.49 -44.96 56.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.741 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.73 -52.65 63.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.739 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.1 -38.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.97 -38.28 79.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -63.93 -41.33 97.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.4 mm? -64.49 -40.01 94.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.725 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.09 -40.47 95.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' ' 21' ' ' THR . 86.4 mt-30 -57.77 -45.84 85.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.28 36.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.56 -32.94 73.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.027 0.442 . . . . 0.0 110.362 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -59.46 -27.34 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.62 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.8 p -72.33 -7.61 50.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -96.14 -11.72 25.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 76.96 3.67 81.32 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.787 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -60.01 66.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.4 ptmt 37.35 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.714 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 100.47 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' ' CD1' ' A' ' 32' ' ' LEU . 64.1 tttt -112.79 159.38 19.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.308 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -91.12 131.49 36.65 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.211 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.28 -41.11 13.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.686 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -52.73 -56.1 17.99 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.83 -59.07 5.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.377 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CD1' ' NZ ' ' A' ' 27' ' ' LYS . 1.7 tt -49.24 -46.0 45.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.768 ' NZ ' H122 ' A' ' 201' ' ' MYR . 63.9 tttt -77.08 -48.97 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.309 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 89.2 t80 -51.51 -64.19 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.811 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 21.4 t80 -57.14 -50.19 73.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.201 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 38.7 t0 -54.05 -57.88 9.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.372 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CE2' ' NE1' ' A' ' 56' ' ' TRP . 7.3 m-85 -62.69 -56.26 19.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.544 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' CYS . 14.7 t -46.8 -56.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.715 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -67.25 -44.22 79.97 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.402 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' HG11 ' A' ' 59' ' ' VAL . 37.1 t0 -60.82 -67.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.293 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -43.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.554 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.62 79.22 30.17 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.282 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.88 -19.73 9.47 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.484 2.122 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.5 m0 -121.99 -2.6 9.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.1 m-85 -142.83 65.84 16.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.421 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.17 3.06 4.9 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.983 2.456 . . . . 0.0 112.133 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -61.96 -51.28 68.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.08 -79.16 0.58 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.106 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.39 92.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -87.25 168.91 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.13 129.38 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.759 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -133.83 141.0 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.0 mt -93.21 -38.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.53 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' ARG . 79.8 mmt-85 -77.27 -64.93 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.732 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' NE1' ' CE2' ' A' ' 37' ' ' PHE . 33.1 t90 -42.22 -31.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -73.86 -44.54 55.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.022 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ARG . 90.5 mtt-85 -64.06 -54.34 35.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.141 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG11 ' OD1' ' A' ' 40' ' ' ASP . 76.7 t -73.48 -22.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.55 -45.69 58.44 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.7 t70 -70.9 -40.59 72.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.6 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.928 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.3 -45.07 89.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.397 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -66.25 -60.8 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 111.44 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ASP . 36.9 t0 -53.73 -31.51 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.346 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.25 -45.45 40.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.871 0.367 . . . . 0.0 110.96 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -63.82 -38.7 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.619 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.57 -61.06 2.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 39.9 m -46.29 -28.78 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.385 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.5 -52.65 56.78 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.538 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.25 69.03 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.5 Cg_endo -80.75 163.35 21.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.074 2.516 . . . . 0.0 112.307 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -100.92 1.24 39.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.015 0.436 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -126.4 27.59 6.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.716 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.2 p -45.85 102.51 0.3 Allowed Pre-proline 0 C--O 1.234 0.249 0 O-C-N 123.554 0.534 . . . . 0.0 110.315 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -81.47 149.95 16.89 Favored 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.674 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.44 -16.77 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.8 mt -48.73 -25.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.178 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.26 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.467 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -49.01 -42.88 39.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.5 p -59.17 -42.73 91.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.508 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.1 m-85 -57.42 -179.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.401 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.0 t90 65.4 -64.79 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.685 0.616 . . . . 0.0 110.527 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' TYR . 65.6 m-20 -61.32 -42.45 98.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.0 -36.0 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -56.28 -43.06 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.138 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.5 tmtt? -67.76 -57.15 6.81 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -59.4 -21.82 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.418 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.29 -55.72 12.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.86 -33.87 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.139 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.54 -63.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.3 mttt -63.15 -43.31 98.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.851 ' HZ2' H101 ' A' ' 201' ' ' MYR . 58.3 tttt -61.67 -14.75 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.685 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.54 -4.14 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.522 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' LYS . 17.2 t -43.02 -66.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.683 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.539 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 p30 165.56 59.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.042 0.214 . . . . 0.0 110.781 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.7 Cg_endo -90.9 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 123.07 2.513 . . . . 0.0 112.427 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -61.23 -22.56 64.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.128 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.17 -44.77 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 50.6 mmm -66.84 -32.9 74.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.64 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -20.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.193 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -51.69 11.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.262 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.81 83.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.037 0.446 . . . . 0.0 109.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.63 -54.85 13.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.703 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.3 m -63.11 -41.15 99.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.682 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -121.94 76.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.94 148.36 50.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.348 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.44 HG23 ' HG ' ' A' ' 110' ' ' LEU . 13.3 tt -61.19 -37.7 78.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.294 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.44 ' HG ' HG23 ' A' ' 109' ' ' ILE . 91.3 mt -75.81 85.3 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.437 ' HG3' ' H ' ' A' ' 114' ' ' SER . 60.0 pttt -142.33 159.97 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.786 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -63.48 -40.53 97.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -50.03 -39.0 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.437 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 5.1 p -67.13 161.12 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 85.0 mt-30 -36.22 -48.09 0.61 Allowed 'General case' 0 N--CA 1.461 0.094 0 O-C-N 123.375 0.422 . . . . 0.0 110.677 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.9 p -143.16 155.59 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -78.54 -53.1 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.568 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 120' ' ' HIS . 96.7 mt -64.6 -40.75 96.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.723 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 56.68 5.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' H ' ' C ' ' A' ' 118' ' ' LEU . 9.5 m-70 -66.66 -40.15 88.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.05 148.62 46.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -105.0 131.84 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.88 93.65 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -111.91 131.14 55.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.581 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.851 H101 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' LEU . 99.3 mm-40 -42.96 -43.01 3.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 28.9 tp10 -43.23 -14.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.685 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.8 tt -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.149 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -61.21 -44.67 96.9 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.553 . . . . 0.0 110.175 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.19 -41.37 97.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.453 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.553 ' CE1' H112 ' A' ' 201' ' ' MYR . 7.4 t60 -61.3 -39.35 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.306 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -52.57 -57.17 10.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.036 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -50.98 -43.84 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.322 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.34 -50.72 72.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.793 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' A' ' 8' ' ' HIS . 1.5 t -45.93 -36.29 2.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.31 -36.57 77.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.483 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.69 -41.24 83.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -63.44 -41.32 98.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.029 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -61.77 -40.68 96.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.271 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.75 -43.55 94.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -55.33 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 24' ' ' VAL . 92.1 mt -59.7 -26.34 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.169 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -63.3 -35.1 79.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -69.1 -16.34 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 85.2 mtp180 -84.38 -5.3 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.62 2.32 35.25 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.772 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.7 p -64.0 64.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLY . 19.2 ptmt 36.49 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.476 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.43 106.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.621 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -124.02 144.73 49.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -70.07 133.27 47.01 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.209 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.92 -41.3 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.361 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 6.9 t0 -53.73 -56.0 21.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.181 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.58 -60.37 3.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.292 0.37 . . . . 0.0 111.351 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.76 -44.29 18.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.628 ' NZ ' H131 ' A' ' 201' ' ' MYR . 77.1 tttt -74.79 -49.41 20.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.869 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.7 m-85 -51.15 -67.45 0.25 Allowed 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' CE1' ' NZ ' ' A' ' 39' ' ' LYS . 51.9 t80 -44.8 -62.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 111.383 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -57.78 -61.85 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' ASP . 2.6 t80 -54.26 -67.73 0.24 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 34' ' ' PHE . 4.9 m -42.56 -38.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.075 0.464 . . . . 0.0 111.073 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' NZ ' ' CE1' ' A' ' 35' ' ' PHE . 81.4 mttt -84.2 -21.41 31.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.324 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.5 t0 -70.99 -68.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.956 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' CE2' ' A' ' 37' ' ' PHE . 2.5 pt -90.94 -4.47 10.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -134.39 56.58 18.89 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.729 0.776 . . . . 0.0 110.698 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 46.8 Cg_endo -72.21 -21.03 24.02 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.239 1.959 . . . . 0.0 112.16 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -119.84 -1.83 10.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -143.27 69.73 17.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.569 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.8 -1.04 11.22 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 123.057 2.505 . . . . 0.0 112.117 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.71 -51.05 68.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -119.5 -79.56 0.6 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.61 96.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 p -84.06 165.24 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.316 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.5 pp -83.48 132.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -139.49 142.12 37.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.517 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -93.56 -39.25 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.63 -45.38 83.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.023 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' ARG . 93.0 mtt180 -69.95 -65.39 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.295 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 56' ' ' TRP . 43.6 t90 -42.32 -27.37 0.14 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.741 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 62.1 ttm-85 -71.56 -46.72 58.65 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.521 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ARG . 96.4 mtt-85 -63.42 -54.28 39.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.425 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.77 -23.36 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 -47.0 53.04 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.0 t70 -71.51 -43.53 66.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.4 m -49.95 -65.6 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -62.48 -47.46 83.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.231 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.48 -61.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.403 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.0 t0 -51.54 -31.94 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -77.46 -43.06 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.95 -41.69 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -75.7 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.069 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.1 m -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.73 -54.46 26.9 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.597 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.03 68.95 0.19 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.496 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.5 Cg_endo -78.4 159.46 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.061 2.508 . . . . 0.0 112.35 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -102.27 -6.06 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -116.56 24.39 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.43 100.91 0.23 Allowed Pre-proline 0 CA--C 1.534 0.333 0 O-C-N 123.814 0.697 . . . . 0.0 110.041 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.83 147.65 17.14 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.859 2.373 . . . . 0.0 112.547 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.34 -20.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.483 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 84.6 mt -52.3 -22.41 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.61 -62.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -45.78 -43.55 13.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.483 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 17.6 m -57.5 -44.35 84.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.1 m-85 -57.29 -179.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.433 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.741 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 45.9 t90 67.79 -67.07 0.19 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.448 0.467 . . . . 0.0 110.507 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 40.7 m-20 -61.18 -40.44 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD23 ' CD ' ' A' ' 88' ' ' GLU . 35.0 mt -65.6 -35.35 80.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -57.93 -42.01 81.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.192 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -67.1 -59.2 3.66 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.623 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.57 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.5 pt-20 -59.18 -18.44 36.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.589 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.67 -54.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.682 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -58.25 -30.52 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.097 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.07 -64.8 0.81 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.043 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 95' ' ' VAL . 97.9 mttt -59.56 -41.47 90.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.775 ' NZ ' H102 ' A' ' 201' ' ' MYR . 84.3 tttt -63.81 -14.99 57.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.32 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.66 -5.17 0.52 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.936 0.398 . . . . 0.0 110.692 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.5 t -44.69 -66.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.776 -177.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 7.3 t-20 168.34 62.01 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.474 0.654 . . . . 0.0 110.837 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.8 Cg_endo -91.46 -159.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.301 -1.929 0 C-N-CA 122.927 2.418 . . . . 0.0 112.139 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.24 -18.3 64.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.354 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.06 -44.28 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.347 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mtp -69.51 -29.13 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.474 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.43 -45.48 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.459 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -14.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.252 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.4 t -93.63 -53.09 8.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.167 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.33 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -81.81 -55.34 4.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.673 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -62.95 -42.82 99.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.753 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -117.66 78.71 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.53 162.9 26.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 pt -57.89 -31.57 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.564 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.24 124.72 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.487 ' HG3' ' H ' ' A' ' 114' ' ' SER . 42.6 pttt -173.38 -177.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 t -60.96 -44.5 97.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.08 -39.77 93.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.739 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.487 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 77.8 p -66.19 156.6 33.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.553 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.07 -39.6 95.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 118' ' ' LEU . 12.4 m -95.73 133.14 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.299 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 111' ' ' LYS . 77.3 m-20 -119.44 18.24 12.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.532 ' H ' HG22 ' A' ' 116' ' ' THR . 91.9 mt -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 51.55 9.53 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 118' ' ' LEU . 65.2 m80 -66.25 -39.93 89.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -104.11 128.47 51.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -112.98 123.88 51.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.45 101.74 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -112.66 155.47 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.569 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.775 H102 ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.554 ' C ' ' H ' ' A' ' 5' ' ' LEU . 79.3 mt-30 -49.42 -41.5 39.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.628 0.252 . . . . 0.0 110.63 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -48.59 -8.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.5 tt -55.73 -45.18 78.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -61.46 -40.79 95.8 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.54 -37.96 89.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.444 ' CD2' ' H92' ' A' ' 201' ' ' MYR . 11.8 t-160 -64.47 -40.58 95.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -49.65 -45.43 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.578 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -62.95 -51.7 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.07 -37.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.06 -37.18 75.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.8 mt-30 -66.4 -41.77 88.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.21 -39.74 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.089 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 86.2 mt-30 -58.11 -48.33 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 110.945 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.99 -54.94 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.87 -32.13 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.928 0.394 . . . . 0.0 110.618 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.76 -22.29 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.507 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' GLN . 68.8 p -87.47 -3.38 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.511 HH22 ' CB ' ' A' ' 81' ' ' SER . 89.2 mtt180 -91.85 10.39 28.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.798 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.28 -7.45 37.81 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -62.86 145.95 13.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.666 0.269 . . . . 0.0 110.532 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 24' ' ' VAL . 5.7 ptmt -52.37 -167.59 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.91 103.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.0 tttt -125.56 154.86 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.8 134.66 36.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.271 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -43.06 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.132 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.1 t0 -53.18 -56.21 18.21 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -61.03 2.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.007 0.432 . . . . 0.0 111.532 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 54.0 tp -47.99 -45.28 31.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -77.35 -49.26 15.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.917 0.389 . . . . 0.0 111.09 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.4 t80 -49.88 -61.09 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.537 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.18 -50.59 73.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -54.45 -60.76 2.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 56' ' ' TRP . 10.3 m-85 -61.2 -59.88 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.6 t -42.4 -52.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.9 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -65.15 -25.24 67.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.76 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' PHE . 56.6 t0 -85.95 -69.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.342 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 42' ' ' CYS . 1.5 pt -60.2 -43.09 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -122.82 79.97 49.42 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 121.299 0.571 . . . . 0.0 110.983 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -79.79 -23.23 7.03 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -119.55 1.15 11.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 68.2 m-85 -146.69 64.37 9.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -71.54 1.83 5.19 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.942 2.428 . . . . 0.0 112.201 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -63.77 -46.9 83.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -106.35 -79.02 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.76 117.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.66 149.37 45.52 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.439 ' CG2' H142 ' A' ' 201' ' ' MYR . 2.0 pp -68.76 132.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -135.44 144.42 46.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -97.18 -41.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.593 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.83 -46.69 71.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.928 0.394 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . 72.0 mmt-85 -70.93 -66.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.79 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 82' ' ' TYR . 1.3 t90 -42.12 -25.2 0.06 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -73.03 -45.17 59.19 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.14 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' ARG . 93.8 mtt-85 -64.15 -54.52 32.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -24.03 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.764 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -45.49 67.81 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.1 t70 -70.15 -42.84 71.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.991 0.424 . . . . 0.0 110.6 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -49.81 -65.01 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.78 -48.21 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.69 -61.31 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.193 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 61' ' ' ASP . 12.4 t70 -52.2 -30.4 27.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -77.26 -45.28 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.87 -40.6 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -77.68 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.6 m -45.05 -27.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.3 -53.44 43.93 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.598 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 123.53 68.75 0.22 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.508 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.8 Cg_endo -77.93 161.24 30.16 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.987 2.458 . . . . 0.0 112.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -101.48 0.52 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -124.17 27.91 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.88 101.06 0.24 Allowed Pre-proline 0 C--O 1.236 0.344 0 O-C-N 123.905 0.753 . . . . 0.0 109.866 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.75 153.71 17.52 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.775 2.317 . . . . 0.0 112.59 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.31 -9.9 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -50.64 -22.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.94 -61.79 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -44.78 -44.95 9.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.705 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.511 ' CB ' HH22 ' A' ' 22' ' ' ARG . 11.2 p -61.23 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 25.5 t80 -53.03 165.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.656 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 75.95 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.24 -41.14 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.32 -41.11 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.7 mm -55.37 -46.3 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.318 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.1 tmtt? -64.5 -58.04 7.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.184 0.516 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 26.9 tp10 -57.52 -26.95 62.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.532 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 15' ' ' LEU . 9.0 mt -65.45 -55.97 15.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 87' ' ' LYS . 5.8 tt -51.81 -35.48 17.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -57.71 -62.84 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.224 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.559 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 60.8 mttp -63.08 -38.63 91.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.678 ' HZ1' H101 ' A' ' 201' ' ' MYR . 40.0 tttt -56.02 -15.2 3.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 96' ' ' ASN . 47.9 mm-40 -45.93 -7.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.588 ' H ' ' C ' ' A' ' 93' ' ' LYS . 58.1 t -43.8 -17.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.552 ' H ' ' HD3' ' A' ' 97' ' ' PRO . 0.3 OUTLIER 88.09 63.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 O-C-N 123.877 0.736 . . . . 0.0 111.271 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.552 ' HD3' ' H ' ' A' ' 96' ' ' ASN . 17.7 Cg_endo -89.75 -147.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 123.123 2.549 . . . . 0.0 112.036 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.554 ' HB2' ' H32' ' A' ' 201' ' ' MYR . 65.7 tp60 -63.72 -29.13 70.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.332 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.4 t -51.52 -45.95 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 71.8 mmm -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -66.53 -53.66 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.455 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.99 -16.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.114 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t -95.74 -51.42 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.16 -1.77 3.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.937 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -110.86 -57.65 2.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.661 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -62.29 -40.03 94.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.391 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -119.79 83.67 2.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -72.93 161.25 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.7 tt -63.19 -33.53 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.57 109.81 14.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 57.8 pttt -162.86 -166.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.8 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -45.02 -44.25 9.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.563 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.62 -38.57 90.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.478 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' A' ' 111' ' ' LYS . 23.3 t -71.24 159.03 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.24 -38.98 92.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.725 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 p -124.28 152.43 43.05 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 111' ' ' LYS . 97.3 m-20 -134.55 5.23 3.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.706 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.43 -40.9 98.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 55.14 -107.86 0.4 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -105.49 135.33 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.58 -44.32 87.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -79.92 124.45 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -112.15 140.95 46.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -110.32 155.01 22.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.55 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.678 H101 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' LEU . 75.1 mt-30 -45.43 -49.16 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.515 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' OE2' ' H81' ' A' ' 201' ' ' MYR . 83.7 tt0 -43.08 -16.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.978 0.418 . . . . 0.0 110.852 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.1 tt -57.29 -43.31 83.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.023 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -57.49 -45.59 84.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.15 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.754 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 83.3 t60 -60.78 -35.17 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.241 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.78 -62.59 1.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.035 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -51.27 -43.84 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.023 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 92' ' ' LYS . 5.2 m-85 -60.98 -51.83 67.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.4 t -47.35 -41.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.194 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -70.95 -35.37 72.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -68.84 -43.4 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.05 -40.74 98.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.879 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.29 -38.37 89.1 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.952 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' THR . 85.7 mt-30 -62.51 -41.99 99.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.626 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -58.29 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.62 -26.09 66.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 110.031 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -64.74 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLN . 56.5 p -70.24 -4.82 23.6 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.901 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.56 4.74 51.88 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.585 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.83 0.29 84.52 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p -63.6 145.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.358 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.7 ptmt -53.82 -164.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.43 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.71 101.2 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' CE ' HD11 ' A' ' 32' ' ' LEU . 66.6 tttt -123.61 166.53 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.396 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -91.04 131.28 36.73 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.134 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.62 -41.65 13.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.796 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.7 t0 -53.63 -50.45 65.68 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.449 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.45 -57.47 11.13 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.399 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CE ' ' A' ' 27' ' ' LYS . 17.4 mt -57.17 -44.13 83.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.354 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.797 ' NZ ' H122 ' A' ' 201' ' ' MYR . 72.5 tttt -74.27 -51.89 13.94 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 38' ' ' VAL . 70.3 t80 -52.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.439 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.93 -60.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.18 -58.15 9.89 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' ' NE1' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -56.56 -62.88 1.42 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.067 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 34' ' ' PHE . 5.2 m -51.52 -37.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.894 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 38' ' ' VAL . 61.0 mttp -81.31 -22.35 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.205 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 66.6 t0 -78.28 -66.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.051 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' H ' ' A' ' 52' ' ' ASP . 94.8 mt -64.52 -43.14 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.574 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.93 78.97 16.77 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.311 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.67 -18.8 10.36 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.494 2.129 . . . . 0.0 112.268 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-90 -120.14 1.3 10.83 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.385 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 8.4 m-85 -151.27 63.16 5.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.6 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.51 2.79 6.49 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.251 2.634 . . . . 0.0 112.174 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -66.51 -42.81 86.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' GLY . 28.1 tt0 -123.12 10.31 9.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.155 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . -28.14 106.6 0.01 OUTLIER Glycine 0 N--CA 1.469 0.869 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 p -97.43 170.35 9.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.485 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.5 pp -90.58 132.93 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' CG ' HH11 ' A' ' 55' ' ' ARG . 95.0 m-20 -137.83 141.71 40.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.276 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.3 -42.07 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.12 -46.77 76.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.485 HH11 ' CG ' ' A' ' 52' ' ' ASP . 36.8 mtm-85 -70.17 -63.96 0.98 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.616 ' NE1' ' CE1' ' A' ' 37' ' ' PHE . 50.3 t90 -43.99 -30.52 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.92 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.08 -46.29 62.14 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.515 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -63.61 -52.67 59.87 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.061 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 61.9 t -73.32 -22.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.71 -47.71 59.98 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.3 t70 -69.81 -39.61 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.785 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.8 m -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.653 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -63.71 -43.96 95.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.09 -61.02 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.1 t0 -50.92 -25.18 4.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -84.13 -42.43 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.688 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -61.51 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' PHE . 34.8 t30 -69.81 -59.97 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -49.42 -16.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.204 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 70' ' ' PHE . 87.9 t80 -86.8 6.53 31.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.78 72.26 0.54 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.2 160.45 29.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.858 2.372 . . . . 0.0 112.167 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -100.7 -6.42 25.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -119.03 31.35 6.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.036 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -47.15 102.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.41 144.05 12.67 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.417 2.078 . . . . 0.0 113.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -27.68 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.43 -23.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.322 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.26 -62.19 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.051 0.453 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -46.52 -40.69 13.01 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.557 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 p -59.52 -44.19 93.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.672 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' ASN . 9.8 m-85 -57.16 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 47.1 t90 64.0 -67.59 0.1 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' TYR . 33.3 m-80 -60.62 -42.1 96.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.465 . . . . 0.0 110.384 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.54 -33.41 75.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.615 179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -58.11 -42.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tttt -65.42 -55.13 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.009 -0.677 . . . . 0.0 110.634 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -61.51 -23.65 66.07 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.39 -52.03 44.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.074 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.3 tt -53.92 -36.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 0.0 109.582 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -57.55 -55.44 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.263 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 98.2 mttt -60.69 -37.83 82.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.185 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' VAL . 13.3 mmtt -59.61 -15.74 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.982 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.07 -10.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.513 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 10.3 t -49.43 -66.26 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.971 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.472 ' OD1' ' SD ' ' A' ' 100' ' ' MET . 5.2 m-20 160.49 66.59 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 121.187 0.517 . . . . 0.0 109.918 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -93.69 -167.31 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 123.496 2.797 . . . . 0.0 112.013 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.49 -23.91 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.175 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -59.48 -43.48 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.996 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.472 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 63.3 ttp -65.92 -34.32 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.219 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.42 78.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -51.14 -20.47 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.414 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -87.36 -52.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.32 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.12 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.079 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -66.36 -52.58 45.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -62.61 -40.38 96.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.392 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -136.23 88.06 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.036 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.11 151.71 46.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.447 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 114' ' ' SER . 13.3 tt -64.09 -25.8 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.756 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.758 HD13 ' OE2' ' A' ' 119' ' ' GLU . 62.1 mt -89.7 109.38 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.185 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 114' ' ' SER . 45.0 pttt -175.05 175.07 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.631 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.8 t -60.13 -42.51 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -59.05 -39.86 83.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.174 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ILE . 4.8 p -73.93 -175.41 2.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.214 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 87.4 mt-30 -36.37 -91.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 p -139.69 149.45 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.715 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -70.79 -33.16 70.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.053 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.43 -31.96 73.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.758 ' OE2' HD13 ' A' ' 110' ' ' LEU . 82.0 mt-10 60.36 98.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -99.11 136.33 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.251 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -122.97 146.47 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -126.51 142.92 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -103.8 136.18 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -111.16 158.96 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.667 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.797 H122 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.561 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.4 mt-30 -46.88 -47.45 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.56 0.219 . . . . 0.0 110.494 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' HB3' ' H52' ' A' ' 201' ' ' MYR . 46.3 tp10 -42.7 -17.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.084 0.468 . . . . 0.0 110.362 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.8 tt -56.59 -42.89 79.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -57.16 -44.73 83.73 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.075 0.464 . . . . 0.0 110.44 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -62.93 -36.98 85.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.62 -41.36 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.153 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.54 -62.63 1.74 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.307 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -47.17 -45.98 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.463 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.92 -50.2 74.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.077 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -44.99 -39.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.15 -39.56 82.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.72 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.72 -41.43 97.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.036 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.65 -40.46 95.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -56.61 -46.9 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.799 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.47 -32.66 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.554 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -59.42 -31.25 69.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.803 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 17' ' ' GLN . 66.8 p -74.14 -9.99 59.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.803 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -89.32 -5.21 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.07 2.3 52.3 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.3 p -63.8 64.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.5 ptmt 34.8 -162.94 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.546 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.9 t -110.57 97.8 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.517 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' CE ' HD11 ' A' ' 32' ' ' LEU . 83.5 tttt -119.57 146.91 45.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -75.68 133.58 40.77 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.511 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.08 -42.74 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.562 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 64.6 t0 -46.73 -48.87 20.29 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.993 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.53 -60.53 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 ' CE ' ' A' ' 27' ' ' LYS . 89.6 mt -47.22 -47.94 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.641 -179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.61 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 21.9 mmtt -74.78 -48.24 26.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.765 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 t80 -51.77 -64.33 0.85 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.28 -50.91 71.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.395 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 19.7 t0 -51.34 -60.31 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.557 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 3.4 m-85 -64.06 -50.45 68.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.702 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.9 t -48.09 -60.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.96 -45.08 83.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 6.3 t0 -60.84 -69.1 0.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.305 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 50' ' ' THR . 91.7 mt -62.41 -42.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -121.62 79.78 39.11 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-O 121.406 0.622 . . . . 0.0 110.909 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -81.27 -23.74 4.98 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.613 2.208 . . . . 0.0 112.561 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -119.51 -4.14 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -143.74 73.06 17.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 2.52 8.18 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.343 2.695 . . . . 0.0 111.927 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -64.42 -48.91 73.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -102.18 -79.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.707 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.32 118.39 0.07 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.2 p -122.07 167.74 12.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.757 0.313 . . . . 0.0 110.488 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -90.83 124.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.472 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -136.1 139.1 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.954 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 86' ' ' ILE . 76.3 mt -93.85 -38.46 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.728 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -45.54 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 110.562 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 57' ' ' ARG . 36.9 ttm180 -68.05 -65.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.481 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -42.5 -25.36 0.08 Allowed 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.073 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -74.19 -46.14 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.933 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.8 mtp85 -63.67 -51.61 64.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.26 -22.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.3 -47.75 56.32 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 65' ' ' ASP . 16.8 t70 -67.91 -41.2 83.0 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.663 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -51.25 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.815 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.18 -46.61 88.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.93 -62.43 1.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.033 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.6 t0 -51.32 -25.0 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.479 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -82.42 -42.69 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 79.6 t80 -61.51 -42.38 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.425 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -70.13 -58.85 3.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -51.14 -19.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.0 t80 -81.39 3.41 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.78 72.41 0.55 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.2 Cg_endo -77.34 159.24 32.99 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 123.016 2.477 . . . . 0.0 112.288 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -102.12 -3.96 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -121.07 30.22 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -46.35 102.68 0.32 Allowed Pre-proline 0 C--O 1.235 0.34 0 O-C-N 123.709 0.631 . . . . 0.0 110.125 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.91 152.27 16.74 Favored 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 122.921 2.414 . . . . 0.0 112.601 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -79.34 -7.28 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.04 -20.89 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.456 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -63.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -43.76 -44.38 6.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.531 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -60.58 -43.43 97.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -55.71 164.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.12 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.71 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.1 t90 78.84 -65.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.9 -41.83 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD23 ' CD ' ' A' ' 88' ' ' GLU . 79.8 mt -65.9 -41.02 92.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG12 ' A' ' 53' ' ' ILE . 20.9 mm -50.63 -51.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.715 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.59 -53.92 47.32 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.25 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.2 pt-20 -57.67 -25.81 60.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD21 H121 ' A' ' 201' ' ' MYR . 7.8 tp -61.74 -59.91 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 5.7 tt -53.59 -36.86 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.609 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.416 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 85.5 m-20 -58.34 -65.21 0.69 Allowed 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.498 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.66 -15.55 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.534 ' HD2' H111 ' A' ' 201' ' ' MYR . 8.2 mtpt -89.21 -11.66 43.05 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -51.86 -11.08 0.13 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -47.63 -66.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -178.714 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' H ' HG23 ' A' ' 95' ' ' VAL . 2.1 p30 166.32 66.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 37.4 Cg_endo -91.48 -164.96 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.165 2.577 . . . . 0.0 112.086 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.77 -26.37 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.203 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.89 -43.23 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.044 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.5 ttm -66.09 -35.63 81.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.076 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.89 75.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -20.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.107 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.47 -53.12 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.14 72.27 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -70.56 -52.28 22.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.7 m -61.09 -40.84 95.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -132.24 83.11 2.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.618 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.35 168.67 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.8 pt -86.58 -8.21 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.712 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 110' ' ' LEU . 4.4 mm? -61.9 -42.05 98.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.779 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' SER . 27.1 pttt -71.02 -29.58 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.37 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.1 -149.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.932 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.54 -40.08 95.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 111' ' ' LYS . 86.0 p -79.48 173.15 12.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -88.61 -3.6 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 p -130.96 158.49 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 110' ' ' LEU . 84.4 m-20 -72.51 -23.21 60.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.17 -39.79 93.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 58.59 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -111.48 135.21 52.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -113.16 136.74 52.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -73.42 132.46 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -120.89 129.61 53.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -104.87 144.92 31.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.535 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.534 H111 ' HD2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 5' ' ' LEU . 80.8 mt-30 -48.43 -43.66 34.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.625 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -46.81 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 tt -49.31 -37.56 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -58.9 -44.3 91.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.424 HE22 ' HB ' ' A' ' 95' ' ' VAL . 57.6 tt0 -61.9 -37.9 86.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.769 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 81.1 t60 -58.16 -39.61 79.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.26 -64.34 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -46.54 -47.98 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.4 m-85 -61.54 -53.51 55.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.527 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -42.75 -40.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.13 -37.52 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -64.87 -44.31 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -62.07 -40.26 95.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.56 -43.6 96.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' THR . 86.6 mt-30 -56.78 -44.68 82.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.24 48.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' CD2' ' NH2' ' A' ' 22' ' ' ARG . 53.6 mt -65.09 -31.92 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.85 -27.54 66.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' GLN . 63.2 p -79.82 -4.46 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH2' ' CD2' ' A' ' 19' ' ' LEU . 97.3 mtt180 -95.42 -2.23 49.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 71.56 -2.34 23.23 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.836 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -63.26 67.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.629 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.3 ptmt 35.02 -167.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.571 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.76 106.71 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.546 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD3' HD22 ' A' ' 32' ' ' LEU . 79.3 tttt -117.87 154.98 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.0 133.73 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.23 -39.86 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.531 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.6 t70 -52.64 -59.26 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.91 -61.02 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' HD3' ' A' ' 27' ' ' LYS . 58.3 tp -45.65 -46.47 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.823 ' NZ ' H122 ' A' ' 201' ' ' MYR . 75.6 tttt -77.68 -49.43 14.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 38' ' ' VAL . 63.3 t80 -49.88 -62.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.71 -52.77 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' OD2' ' C ' ' A' ' 36' ' ' ASP . 62.5 t0 -51.76 -60.53 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.74 -52.28 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.635 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 34' ' ' PHE . 48.8 t -47.81 -59.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -66.4 -43.32 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -60.72 -71.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.14 -42.82 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.99 80.2 34.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 -178.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.19 -19.92 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.81 2.34 . . . . 0.0 112.096 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -125.42 -2.92 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -140.78 68.77 30.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -77.18 2.42 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.789 2.326 . . . . 0.0 112.1 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.11 -51.72 66.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -121.63 -83.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 102.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -86.47 168.34 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.556 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.587 HG21 H141 ' A' ' 201' ' ' MYR . 1.7 pp -87.97 128.33 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -133.85 140.9 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -91.34 -33.99 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.75 -45.08 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.531 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 58' ' ' ARG . 78.8 mtp85 -71.01 -68.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.459 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 14.9 t90 -38.36 -27.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttp180 -74.86 -45.69 41.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 55' ' ' ARG . 99.6 mtt180 -63.85 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.0 -25.04 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -45.4 79.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASP . 23.8 t70 -70.2 -40.84 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.19 -67.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.56 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -63.64 -62.06 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.4 t0 -53.8 -23.49 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -83.77 -43.43 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 69.3 t80 -62.54 -38.67 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -72.99 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -50.95 -18.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 88.9 t80 -84.94 4.2 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.0 75.0 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.8 Cg_endo -79.65 164.83 23.11 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.733 2.289 . . . . 0.0 112.162 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -100.6 -3.02 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -127.8 33.41 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.599 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.3 p -44.57 102.22 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -82.15 141.97 11.93 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.858 2.372 . . . . 0.0 112.134 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.07 -19.3 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -47.36 -21.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.586 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.92 -61.58 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -46.51 -42.52 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -59.83 -43.76 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.2 m-85 -56.55 177.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.62 -65.95 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 78.6 m-20 -61.17 -41.5 96.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD23 ' CD ' ' A' ' 88' ' ' GLU . 45.4 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.65 -43.03 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.2 tmtt? -67.49 -60.44 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.592 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -58.43 -18.67 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.22 -55.51 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -52.56 -33.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.57 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -62.85 -40.94 99.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.671 ' HZ2' H101 ' A' ' 201' ' ' MYR . 61.7 tttt -65.94 -15.35 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.25 -1.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.608 ' H ' ' C ' ' A' ' 93' ' ' LYS . 5.4 t -42.1 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.578 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.4 p30 165.63 60.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.9 Cg_endo -90.32 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.81 2.34 . . . . 0.0 112.112 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -61.59 -18.54 59.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.545 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.83 -44.35 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 74.8 mtp -69.86 -31.96 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.24 -53.7 40.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.06 -22.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.53 -53.51 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -36.62 72.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.7 -49.45 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m -63.88 -40.45 96.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -138.21 84.88 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.44 153.37 27.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.672 HG23 ' HG ' ' A' ' 110' ' ' LEU . 9.4 tt -64.72 -31.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.672 ' HG ' HG23 ' A' ' 109' ' ' ILE . 91.3 mt -101.77 127.02 48.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.466 ' HG3' ' H ' ' A' ' 114' ' ' SER . 44.4 pttt -175.81 -179.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.587 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.9 t -60.87 -44.01 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.91 -39.55 92.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.466 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 78.6 p -63.38 161.54 13.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.11 -43.83 97.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.2 p -100.46 118.2 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 111' ' ' LYS . 4.7 m-20 -112.16 10.87 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 119' ' ' GLU . 82.2 mt -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 118' ' ' LEU . 93.5 mt-10 56.24 161.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.6 131.81 55.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -111.05 143.46 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -79.25 129.73 34.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -123.82 126.43 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.67 150.95 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.525 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.823 H122 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.6 mt-30 -50.99 -42.24 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.88 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.5 tt -50.58 -38.41 45.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.345 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -55.35 -38.29 68.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.382 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.48 -39.59 92.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.708 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 86.4 t60 -55.99 -38.25 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.099 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -65.3 -64.54 0.84 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.202 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -46.0 -48.45 16.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.24 -51.67 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.77 -41.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.329 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -66.01 -37.2 85.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.28 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -66.23 -42.48 88.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -61.92 -39.49 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.0 -42.37 99.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 21' ' ' THR . 88.7 mt-30 -55.32 -50.95 68.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.963 0.411 . . . . 0.0 110.633 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -56.72 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.043 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.85 -36.16 80.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.63 -16.54 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 17' ' ' GLN . 26.2 p -85.53 -3.81 58.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.289 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -93.4 1.54 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.664 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.27 0.25 89.57 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -62.64 147.81 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.402 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' VAL . 3.2 ptmt -53.53 -168.22 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.676 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.17 101.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HE2' HD13 ' A' ' 32' ' ' LEU . 39.6 tttp -125.91 144.63 50.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.365 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.49 136.39 45.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.58 -41.59 13.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.534 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 24.4 t0 -54.48 -55.8 25.32 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.748 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.23 -60.65 3.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD13 ' HE2' ' A' ' 27' ' ' LYS . 57.7 tp -48.33 -44.5 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.954 ' HZ1' H131 ' A' ' 201' ' ' MYR . 78.1 tttt -78.71 -49.37 13.21 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.071 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 84.5 t80 -51.66 -59.13 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.605 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -52.19 66.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.709 0.29 . . . . 0.0 110.855 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 98.4 m-20 -54.44 -59.57 4.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.076 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.53 -58.86 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.452 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 50.4 t -43.64 -59.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.71 -43.55 96.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.517 ' OD2' HG11 ' A' ' 59' ' ' VAL . 67.4 t0 -62.15 -70.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.96 -41.66 89.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.92 81.15 34.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 111.127 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -82.99 -20.8 5.05 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 122.81 2.34 . . . . 0.0 112.432 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -117.02 -6.8 11.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.986 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 10.7 p90 -148.16 76.71 10.23 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -80.47 4.3 6.98 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.257 2.638 . . . . 0.0 112.092 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.62 -50.81 67.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.559 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -101.29 -78.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.298 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.17 104.34 0.05 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -105.6 169.82 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.795 HG21 H142 ' A' ' 201' ' ' MYR . 1.8 pp -90.71 123.45 42.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -131.26 141.67 50.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mt -91.83 -37.28 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.4 -47.95 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 83.6 mtp180 -69.46 -66.88 0.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.644 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -41.6 -28.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -74.87 -45.48 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.712 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' ARG . 44.0 ttm180 -64.86 -54.84 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 -178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 ' OD2' ' A' ' 40' ' ' ASP . 62.0 t -73.27 -24.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -43.03 92.23 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.2 t70 -71.18 -38.86 72.12 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.344 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.3 m -50.46 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -63.37 -46.13 87.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -62.78 -61.82 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.5 t0 -52.7 -21.49 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -85.42 -41.4 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.98 -40.43 96.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.266 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -71.66 -57.2 4.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 25.9 m -52.95 -16.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 77.5 t80 -85.51 3.13 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.774 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.16 71.16 0.77 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.99 159.33 30.67 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 111.996 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -101.16 1.54 39.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -126.61 26.97 6.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.615 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.0 p -43.98 100.8 0.23 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.284 0.564 . . . . 0.0 110.125 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.6 150.95 19.34 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.962 2.441 . . . . 0.0 112.505 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.1 -5.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.438 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.0 mt -52.47 -24.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -61.59 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -43.79 -46.91 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -59.38 -45.17 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -55.06 163.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.423 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.637 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t90 79.18 -64.69 0.23 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -61.45 -42.99 99.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.628 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.67 -41.23 98.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -52.53 -47.21 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.524 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.5 tmtp? -67.1 -59.37 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.729 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -54.98 -24.86 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.765 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD13 H131 ' A' ' 201' ' ' MYR . 9.9 mt -66.71 -55.39 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.333 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -53.01 -35.82 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.481 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 84.9 m-20 -59.39 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.365 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.819 ' O ' HG23 ' A' ' 95' ' ' VAL . 66.0 mmtt -53.02 -33.92 53.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.493 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.791 ' NZ ' ' H81' ' A' ' 201' ' ' MYR . 5.1 mmtt -61.33 -21.71 64.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -45.68 -13.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.953 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 92' ' ' LYS . 60.7 t -46.51 -68.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.736 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.52 ' CG ' HG12 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 165.79 65.34 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.218 0.532 . . . . 0.0 110.592 178.477 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -92.06 -170.38 0.31 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 123.418 2.745 . . . . 0.0 112.307 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -67.61 -24.98 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.08 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -44.54 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.502 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mtp -71.38 -33.08 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.184 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -62.32 -51.23 68.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.148 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -50.18 -16.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.978 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.3 t -98.41 -53.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.419 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.65 -12.35 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -100.39 -55.19 2.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 16.0 m -64.01 -40.53 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -136.2 93.99 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.305 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -67.19 142.77 56.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 pt -65.99 -27.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.74 HD22 ' OE1' ' A' ' 119' ' ' GLU . 94.0 mt -100.93 98.58 9.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.326 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 114' ' ' SER . 52.4 pttt -149.18 170.58 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.4 t -60.52 -44.68 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -53.82 -40.75 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.544 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 111' ' ' LYS . 32.3 m -110.37 114.44 27.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.489 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 62.39 -126.81 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.205 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -148.1 136.72 21.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.95 -34.29 77.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.552 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 118' ' ' LEU . 90.7 mt -63.2 -41.38 99.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.74 ' OE1' HD22 ' A' ' 110' ' ' LEU . 84.2 mt-10 59.3 156.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.357 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -116.37 136.92 52.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -58.44 -46.16 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -109.38 127.55 54.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -137.92 99.4 3.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -112.15 154.89 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.542 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.416 ' OXT' ' CG ' ' A' ' 125' ' ' HIS . 51.8 t-80 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.438 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.954 H131 ' HZ1' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.9 mt-30 -47.04 -38.91 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.513 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' OE1' ' A' ' 7' ' ' GLN . 69.4 mm-40 -51.85 -6.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.0 tt -54.26 -44.12 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -60.59 -40.16 90.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.423 ' OE1' ' OE2' ' A' ' 4' ' ' GLU . 77.5 mt-30 -66.56 -39.02 88.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.736 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 82.5 t60 -61.4 -39.05 89.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.36 -62.95 1.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -48.02 -44.64 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.98 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -44.56 -37.49 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.45 -37.43 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.9 -40.85 91.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.4 mm? -63.56 -40.21 96.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.58 -40.43 94.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.53 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -58.01 -45.8 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.62 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -62.34 -33.84 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.82 -26.83 64.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.562 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 17' ' ' GLN . 43.1 p -80.73 -8.3 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -87.69 2.2 51.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 0.46 87.09 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -63.22 146.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.6 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.2 ptmt -53.46 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.68 100.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.57 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 32' ' ' LEU . 82.3 tttt -121.78 148.34 44.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -74.09 132.1 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.65 -40.94 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.9 t70 -52.97 -56.91 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.33 -59.69 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' A' ' 27' ' ' LYS . 52.2 tp -47.19 -44.99 22.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' NZ ' H122 ' A' ' 201' ' ' MYR . 76.1 tttt -78.24 -50.58 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.9 t80 -49.8 -63.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.583 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.06 -52.55 65.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -52.91 -59.89 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.46 -53.86 48.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 52.5 t -45.84 -58.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -65.2 -42.77 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' HG11 ' A' ' 59' ' ' VAL . 54.7 t0 -62.13 -71.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.23 -43.92 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.99 81.62 27.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 -178.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.24 -19.78 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.808 2.338 . . . . 0.0 112.066 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.72 -1.11 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.71 68.54 19.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -77.27 1.83 8.32 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.859 2.372 . . . . 0.0 112.036 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.75 -52.89 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -121.79 -81.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.85 98.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 p -80.47 170.02 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.773 HG21 H143 ' A' ' 201' ' ' MYR . 1.5 pp -87.99 130.47 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 99.9 m-20 -133.46 142.79 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.5 mt -91.02 -33.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.31 -48.16 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' ARG . 84.4 mtt85 -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ARG . 59.6 t-105 -37.91 -34.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -74.29 -42.89 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' ARG . 41.4 ttm180 -65.69 -58.6 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD2' ' A' ' 40' ' ' ASP . 58.6 t -69.34 -23.44 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.36 -46.14 65.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -69.26 -37.55 77.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.8 m -52.99 -67.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.2 -44.79 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -64.25 -63.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ASP . 21.9 t0 -54.36 -20.0 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.597 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -86.46 -41.67 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 84.3 t80 -62.75 -38.9 92.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.73 -57.46 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.1 m -50.52 -17.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 89.5 t80 -84.15 2.82 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.96 67.87 1.99 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.444 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.5 Cg_endo -77.77 160.02 31.19 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.844 2.363 . . . . 0.0 112.115 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -100.89 1.93 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -127.07 29.85 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.64 102.57 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.12 143.99 13.07 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.842 2.361 . . . . 0.0 112.062 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 77' ' ' VAL . 14.9 p -78.81 -11.15 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.67 -22.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.536 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.33 -63.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.538 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -47.54 -42.51 23.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -58.84 -45.23 90.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.6 m-85 -54.62 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.632 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 44.7 t90 64.06 -63.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 82' ' ' TYR . 44.1 m-20 -61.45 -41.04 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 88' ' ' GLU . 84.8 mt -68.49 -34.18 75.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.0 mm -56.71 -42.21 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -66.69 -61.33 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.49 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.25 -18.01 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.582 HD22 H132 ' A' ' 201' ' ' MYR . 6.9 mt -72.07 -54.15 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.4 tt -55.13 -29.13 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -64.07 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.507 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -61.21 -42.18 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.592 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.7 tttt -62.6 -16.97 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.73 -2.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.1 t -43.9 -69.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.613 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t30 168.77 59.56 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.613 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.7 Cg_endo -90.84 -156.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.703 2.269 . . . . 0.0 112.155 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HB2' ' H32' ' A' ' 201' ' ' MYR . 61.0 tp60 -62.24 -20.44 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.12 -44.7 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtp -67.42 -31.7 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.47 -50.82 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.03 -20.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.43 -54.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.17 -37.71 75.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.11 -51.64 56.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 m -63.33 -40.79 98.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -134.39 83.74 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 110' ' ' LEU . 94.0 mt-10 -66.15 141.29 58.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.31 16.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 108' ' ' GLU . 85.7 mt -97.24 -0.92 45.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -106.2 141.62 37.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -105.75 -97.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.628 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -99.14 8.22 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 p -154.63 157.77 38.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.37 67.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.67 161.45 42.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.93 -1.24 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 120' ' ' HIS . 83.4 mt -62.54 -41.65 99.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.68 -89.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.546 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 118' ' ' LEU . 96.9 m-70 -116.08 131.9 56.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.32 147.13 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -119.79 136.89 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -119.3 128.27 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.558 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -104.39 159.62 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 75.5 m80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.613 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.773 H143 HG21 ' A' ' 51' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.543 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.0 mt-30 -52.68 -41.77 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.628 -179.567 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.59 -6.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 3' ' ' GLN . 2.6 tt -52.32 -34.32 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -59.12 -41.42 88.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.73 -38.84 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.556 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.469 ' HB2' ' H91' ' A' ' 201' ' ' MYR . 81.9 t60 -57.19 -36.99 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 178.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.71 -65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -46.0 -47.9 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.2 m-85 -61.4 -51.51 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.611 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -44.07 -36.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -68.06 -39.06 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.5 mt-30 -64.02 -42.49 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.38 -40.29 96.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.325 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.77 -44.64 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' THR . 84.8 mt-30 -56.68 -43.67 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.69 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.22 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.44 -21.68 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' GLN . 62.1 p -87.67 -2.12 58.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -92.93 7.89 42.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.515 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.0 -3.03 58.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -65.85 148.53 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.609 -179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 ptmt -52.49 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.37 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 80.9 tttt -122.53 154.48 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.27 133.33 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.528 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -42.44 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 53.5 t0 -52.23 -57.49 9.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.055 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.02 -60.55 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -178.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 58.0 tp -46.71 -45.49 19.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.6 ' HZ3' H122 ' A' ' 201' ' ' MYR . 78.0 tttt -78.52 -51.18 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.3 t80 -49.61 -61.94 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -52.21 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 61.2 t0 -52.41 -59.55 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -178.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -62.95 -55.4 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -178.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.8 t -42.92 -62.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 -179.187 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -63.33 -46.55 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.578 ' OD1' HG11 ' A' ' 59' ' ' VAL . 63.2 t0 -57.56 -71.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 50' ' ' THR . 87.3 mt -62.69 -43.16 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.99 80.02 25.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 -179.267 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.01 -20.03 6.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.818 2.345 . . . . 0.0 112.102 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -120.41 -10.56 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -139.46 73.55 35.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 -178.753 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.14 3.04 7.97 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.805 2.337 . . . . 0.0 112.162 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.61 -51.53 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -101.41 -77.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.99 114.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -126.93 161.78 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.906 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.709 ' CG2' H141 ' A' ' 201' ' ' MYR . 1.8 pp -80.49 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.572 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -135.39 141.2 45.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.71 -39.45 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -178.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.05 -47.74 70.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.7 mtt180 -68.03 -67.31 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 72.2 t-105 -38.48 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.602 179.11 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.9 ttt-85 -72.0 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 60.2 ttp180 -67.5 -56.5 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.509 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.578 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.3 t -68.08 -26.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.72 83.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.1 t70 -68.05 -38.82 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 0.0 110.569 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.4 m -51.56 -68.15 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.506 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.94 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.76 -62.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.7 t0 -51.34 -23.01 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.566 -179.103 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.13 -45.33 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.86 -43.13 90.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -71.11 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.565 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -51.43 -17.47 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 85.0 t80 -84.55 2.22 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.28 73.88 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -79.26 161.35 25.99 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.784 2.323 . . . . 0.0 112.138 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -102.62 -3.13 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -125.22 33.62 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.6 p -44.72 101.86 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -83.4 148.1 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.8 2.333 . . . . 0.0 112.151 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 p -76.26 -15.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.0 mt -45.93 -22.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -43.06 -44.05 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 p -61.52 -43.22 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CD2' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -58.08 163.97 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.68 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.734 ' N ' ' CD2' ' A' ' 82' ' ' TYR . 1.5 t90 79.47 -68.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.12 -41.25 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.3 mm -54.34 -44.71 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.551 -178.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.8 tttt -66.34 -61.02 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.582 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -55.73 -22.83 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.55 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.1 -57.25 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.516 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.55 -30.41 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -63.9 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.564 -179.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.3 mttm -58.83 -42.16 88.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 178.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HD2' H131 ' A' ' 201' ' ' MYR . 81.7 tttt -60.22 -17.98 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -54.62 -6.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 98.4 t -41.0 -67.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -178.578 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.582 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 164.86 60.9 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 178.653 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.75 -160.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.86 2.373 . . . . 0.0 112.139 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -62.97 -21.12 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.49 -44.42 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.1 mmm -69.77 -29.55 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.75 -49.37 59.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.24 -17.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.7 t -91.86 -53.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.728 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.63 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -73.13 -57.92 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.9 m -61.28 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.516 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -131.39 85.23 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.78 165.1 11.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.4 pt -91.57 -6.5 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 110' ' ' LEU . 96.8 mt -63.78 -41.75 97.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' SER . 50.0 pttt -61.34 -28.27 69.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.719 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.69 -142.32 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.32 -37.09 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 111' ' ' LYS . 3.8 p -91.63 -179.87 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -86.94 -13.43 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.542 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 118' ' ' LEU . 13.8 m -120.24 140.03 51.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -68.26 -34.66 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -62.41 -38.97 91.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -178.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 118' ' ' LEU . 94.7 mt-10 55.2 155.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -118.14 135.92 53.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.32 146.6 51.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -112.17 141.84 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -134.73 113.08 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -113.9 150.6 33.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.541 179.826 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.709 H141 ' CG2' ' A' ' 51' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 5' ' ' LEU . 90.1 mt-30 -48.65 -41.88 32.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.583 -179.496 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -42.56 -16.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.3 tt -51.14 -40.72 59.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -61.15 -36.28 79.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.72 -41.95 74.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.728 ' CD2' ' H91' ' A' ' 201' ' ' MYR . 11.8 t-160 -57.75 -36.98 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.5 -64.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -49.13 -46.3 44.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.287 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.3 m-85 -61.55 -53.79 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -43.52 -37.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.9 -37.25 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.6 mt-30 -65.83 -41.92 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.66 -40.22 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.49 -41.32 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.688 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.24 -47.67 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.57 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.98 -34.66 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.324 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -59.53 -22.57 61.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 17' ' ' GLN . 18.3 p -80.04 -5.44 55.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -91.85 -2.11 57.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.16 1.21 90.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -61.7 147.14 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.378 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.2 ptmt -53.29 -167.68 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.7 t -104.91 100.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.573 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CE ' HD22 ' A' ' 32' ' ' LEU . 84.6 tttt -120.61 149.24 42.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -76.68 132.25 39.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.83 -42.03 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.144 0.497 . . . . 0.0 110.975 179.32 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.9 t0 -53.1 -56.34 16.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.945 -178.167 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.05 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -178.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 27' ' ' LYS . 47.0 tp -46.46 -44.84 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.765 ' NZ ' H122 ' A' ' 201' ' ' MYR . 74.3 tttt -79.29 -49.19 12.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.398 -178.805 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.6 t80 -53.09 -56.4 16.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.728 -178.63 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.77 -54.54 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 99.3 m-20 -51.45 -56.65 12.1 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -178.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.83 -52.83 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 34' ' ' PHE . 29.0 t -49.3 -58.86 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -66.09 -44.8 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 65.8 t0 -60.29 -69.84 0.2 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.95 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 50' ' ' THR . 96.5 mt -62.02 -42.02 93.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.274 -179.492 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -122.97 80.07 50.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 -179.421 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -81.03 -19.01 8.52 Favored 'Trans proline' 0 C--N 1.303 -1.859 0 C-N-CA 122.836 2.357 . . . . 0.0 112.163 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -120.16 -2.31 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 65.4 m-85 -146.34 73.11 13.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.722 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.2 3.17 6.92 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.977 2.452 . . . . 0.0 112.348 -179.433 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -119.83 -79.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.31 92.28 0.05 OUTLIER Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 41' ' ' ILE . 6.5 p -84.16 163.73 19.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 110.525 179.626 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.548 HG21 H143 ' A' ' 201' ' ' MYR . 1.7 pp -78.4 126.74 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -129.24 141.73 51.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.41 -36.8 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.92 -48.96 69.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' ARG . 96.0 mtt-85 -69.74 -66.85 0.54 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 65.6 t-105 -39.77 -33.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.128 -179.114 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 76.6 ttt180 -75.26 -43.47 51.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.0 ttm-85 -64.58 -58.4 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.24 -22.38 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -43.65 70.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.2 t70 -71.37 -39.51 71.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.888 0.375 . . . . 0.0 110.686 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -51.36 -66.22 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.7 -46.75 86.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.23 -63.09 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' ASP . 31.1 t0 -53.99 -20.3 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -85.54 -41.92 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.78 -38.64 91.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -73.0 -54.71 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.2 m -50.41 -18.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.2 t80 -85.11 3.25 39.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.42 67.25 2.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.69 161.7 33.52 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.828 2.352 . . . . 0.0 112.324 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -102.31 3.5 38.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 179.095 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -126.2 26.1 6.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.732 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.2 p -46.43 103.24 0.34 Allowed Pre-proline 0 N--CA 1.455 -0.211 0 CA-C-O 121.3 0.572 . . . . 0.0 110.452 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -80.86 149.43 17.97 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.748 2.298 . . . . 0.0 112.51 -179.025 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.3 p -79.98 -13.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.477 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.405 ' O ' ' OG ' ' A' ' 81' ' ' SER . 60.8 mt -50.43 -23.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -178.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -62.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -178.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -48.81 -44.4 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.532 -179.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 71.3 p -59.56 -39.64 84.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.653 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.6 OUTLIER -60.41 -176.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.54 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 54.2 t90 63.16 -63.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 82' ' ' TYR . 55.1 m-20 -60.94 -42.71 98.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.39 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD23 ' CD ' ' A' ' 88' ' ' GLU . 80.0 mt -66.53 -35.57 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.648 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.46 -41.49 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.28 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -68.14 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.62 -19.31 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.395 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.867 HD22 H132 ' A' ' 201' ' ' MYR . 6.3 mt -69.93 -55.26 10.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 87' ' ' LYS . 10.4 tt -54.06 -34.34 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.496 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 94.5 m-20 -59.44 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -60.33 -41.47 93.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.478 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.708 ' NZ ' H101 ' A' ' 201' ' ' MYR . 80.0 tttt -64.59 -15.13 60.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -54.15 -4.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.9 t -43.69 -70.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.978 -177.488 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.621 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 t30 170.94 58.9 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.2 Cg_endo -91.0 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.85 0 C-N-CA 122.694 2.262 . . . . 0.0 112.0 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.91 -26.1 67.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -43.9 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.41 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.7 -34.26 75.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.524 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -51.95 60.5 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.6 -19.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.9 t -92.3 -52.8 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.262 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.42 68.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -82.29 -57.28 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.67 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.0 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.496 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -118.07 79.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 110' ' ' LEU . 97.4 mt-10 -66.51 140.72 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.5 pt -70.98 17.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 108' ' ' GLU . 90.6 mt -100.66 12.19 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.629 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -118.22 153.59 33.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.5 m -106.43 -131.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.1 p -161.95 6.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.525 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -127.54 -172.26 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.578 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 p -77.14 159.64 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.485 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 110' ' ' LEU . 12.8 m-20 -65.08 -34.34 78.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.28 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 118' ' ' LEU . 95.4 mt -63.25 -41.02 99.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 58.89 20.17 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -65.87 -40.8 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.726 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -55.0 -38.67 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -178.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -109.49 170.24 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -140.32 93.26 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.664 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -113.3 133.55 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 179.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.596 179.814 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.867 H132 HD22 ' A' ' 89' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.43 ' O ' ' O1 ' ' A' ' 201' ' ' MYR . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' LEU . 93.3 mm-40 -45.03 -38.53 4.93 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.442 ' OE2' ' H81' ' A' ' 201' ' ' MYR . 84.4 tt0 -42.1 -17.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.011 0.434 . . . . 0.0 110.405 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.9 tt -57.57 -42.2 82.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.471 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -60.0 -44.1 94.75 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.364 0.602 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.106 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.834 ' ND1' H112 ' A' ' 201' ' ' MYR . 7.6 t60 -58.36 -42.47 87.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 109.977 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -50.45 -58.94 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -51.31 -43.77 61.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.579 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.28 -51.19 70.36 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.356 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.0 -37.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.65 -43.97 65.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -65.61 -39.77 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.221 0.534 . . . . 0.0 110.822 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.58 -40.47 97.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.68 -37.12 85.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.135 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.25 -44.9 94.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.43 58.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 24' ' ' VAL . 47.8 mt -65.39 -27.07 68.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.564 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.95 -27.78 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.539 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.2 p -83.01 -4.77 58.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' VAL . 97.0 mtt-85 -89.62 7.23 37.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.559 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 66.29 -5.13 2.27 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 24' ' ' VAL . 9.2 p -63.36 61.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' GLY . 16.3 ptmt 35.19 -161.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.452 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -112.29 101.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.525 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -115.42 148.45 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.41 135.04 35.64 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.637 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.84 -32.24 19.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.327 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 31.9 t0 -52.6 -60.15 3.6 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -177.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.97 -61.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.574 0.546 . . . . 0.0 111.844 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.9 tp -44.76 -49.71 10.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.023 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HE2' H131 ' A' ' 201' ' ' MYR . 67.9 tttt -72.67 -46.58 53.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.6 m-85 -50.06 -65.16 0.61 Allowed 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.358 -178.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.46 -57.16 11.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.642 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.41 -61.41 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.683 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.81 -53.68 54.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.6 t -43.05 -53.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.263 0.554 . . . . 0.0 110.55 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -66.81 -35.57 80.37 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.081 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 26.0 t0 -65.39 -68.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.422 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -84.28 15.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 0.0 110.803 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' SG ' ' C ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -165.98 64.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.896 0.855 . . . . 0.0 111.283 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.88 -35.61 1.37 Allowed 'Trans proline' 0 C--N 1.299 -2.047 0 C-N-CA 122.108 1.872 . . . . 0.0 112.82 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.87 -2.55 8.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -141.15 72.91 26.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.949 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -76.1 4.95 4.86 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 123.674 2.916 . . . . 0.0 112.217 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -64.48 -49.85 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.397 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.96 -83.99 0.54 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.54 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.69 109.88 0.14 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -112.04 163.64 14.05 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.959 0.409 . . . . 0.0 110.59 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -84.05 125.57 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -139.0 140.93 38.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.241 179.145 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.8 mt -94.05 -40.74 11.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.59 -45.02 84.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 57' ' ' ARG . 94.8 mtt-85 -71.63 -65.86 0.7 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.057 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CD1' ' OD2' ' A' ' 40' ' ' ASP . 80.8 t90 -43.45 -25.44 0.15 Allowed 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.533 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 55' ' ' ARG . 42.3 ttm180 -75.34 -47.7 26.47 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -61.23 -50.38 73.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.703 -179.18 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -77.04 -21.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.56 55.18 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.0 t70 -71.4 -43.16 67.35 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 83.5 m -49.76 -64.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.5 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.68 -47.9 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -63.98 -61.13 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -178.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.0 t0 -52.91 -36.19 59.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.15 -43.1 75.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -66.1 -38.75 89.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.901 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.73 -61.11 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 27.8 m -44.99 -29.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.327 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.27 -51.83 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.09 69.57 0.33 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.0 Cg_endo -79.67 163.3 24.0 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.086 2.524 . . . . 0.0 112.482 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -100.37 1.61 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.498 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -126.57 26.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.93 100.54 0.23 Allowed Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 123.797 0.685 . . . . 0.0 110.133 -178.198 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -82.17 151.87 16.05 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.838 2.359 . . . . 0.0 112.486 -179.027 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.84 -17.88 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.59 HG22 ' CD1' ' A' ' 82' ' ' TYR . 83.6 mt -48.41 -22.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.436 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -53.29 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.362 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -46.99 -50.04 19.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -64.33 -21.93 66.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.661 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CD1' HG22 ' A' ' 78' ' ' ILE . 1.7 m-85 -87.03 85.95 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 160.81 -62.01 0.0 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 71.9 m-20 -60.84 -38.66 86.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.513 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 85' ' ' LEU . 90.4 mt -63.92 -37.83 88.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.609 179.429 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -53.83 -50.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -59.79 -53.45 57.79 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -60.21 -21.59 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.482 HD21 H143 ' A' ' 201' ' ' MYR . 12.3 tp -64.16 -58.63 6.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -178.571 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.44 -34.33 34.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -59.19 -65.7 0.63 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.455 -178.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.06 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' NZ ' ' H92' ' A' ' 201' ' ' MYR . 84.1 tttt -60.51 -11.88 8.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.257 0.551 . . . . 0.0 110.369 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -59.64 -6.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -43.7 -67.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.102 -177.43 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.541 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.7 p30 167.75 60.95 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 111.091 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -90.85 -157.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.157 2.571 . . . . 0.0 111.934 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.34 -25.92 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.958 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.996 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.88 -32.81 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.299 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.23 68.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.05 -19.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.073 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t -89.02 -52.83 10.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.082 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.76 88.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.44 -54.65 25.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.3 m -61.02 -41.35 96.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.449 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.469 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 79.7 mm-40 -132.24 86.44 2.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.3 171.43 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 pt -93.05 -3.0 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.84 -41.02 96.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.469 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 63.3 pttt -59.57 -35.94 75.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.484 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.53 -152.67 0.16 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 p -172.44 10.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.14 163.11 23.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.742 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.5 p -81.92 160.8 23.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -64.05 -36.96 85.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.7 mt -62.7 -37.79 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 118' ' ' LEU . 95.1 mt-10 56.82 112.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.69 140.84 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -107.24 120.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -101.36 134.73 43.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.391 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.54 112.39 9.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 125' ' ' HIS . 14.6 m-70 -112.14 157.25 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.447 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 124' ' ' HIS . 41.7 m80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.89 -1.053 . . . . 0.0 110.763 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.834 H112 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' LEU . 95.5 mm-40 -51.01 -42.34 60.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -41.54 -19.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.485 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.1 tt -54.78 -44.58 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.539 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -60.98 -41.49 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.96 -40.46 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.72 -44.69 86.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -53.66 -61.21 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -48.79 -44.98 39.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -61.31 -52.65 63.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.47 -34.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.52 -37.9 71.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.4 mt-30 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 HD21 ' A' ' 85' ' ' LEU . 4.4 mm? -63.9 -39.7 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.565 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.02 -40.78 98.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.89 -48.36 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 -179.133 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -64.45 -32.17 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.582 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -61.12 -17.85 54.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.3 p -86.31 -2.61 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -92.0 6.43 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.32 83.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.37 146.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.542 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.54 -164.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -103.32 97.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.687 ' CE ' HD11 ' A' ' 32' ' ' LEU . 68.1 tttt -116.4 167.23 11.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.607 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.8 m-85 -97.67 131.44 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.625 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.69 -35.69 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.1 t0 -51.29 -57.58 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.93 -62.95 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.687 HD11 ' CE ' ' A' ' 27' ' ' LYS . 29.7 mt -46.16 -47.59 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 -179.009 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.67 -48.37 22.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 77.3 t80 -51.88 -55.49 19.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 -178.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.85 -56.62 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -59.6 -63.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.079 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.78 -25.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -178.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.0 t -86.11 -63.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -177.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -63.85 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 61.1 t0 -54.59 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -178.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.29 -43.08 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.03 80.66 18.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 -178.384 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -79.39 -21.78 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.829 2.353 . . . . 0.0 112.104 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -125.09 0.24 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -142.13 67.05 21.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.81 -2.01 12.2 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.853 2.369 . . . . 0.0 112.138 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -63.25 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -105.23 -81.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.75 104.23 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.263 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 p -101.06 168.87 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -89.19 124.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -136.55 141.18 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.1 -34.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.3 -44.79 74.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.551 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 92.1 mtt-85 -69.52 -68.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD1' ' C ' ' A' ' 56' ' ' TRP . 8.3 t-105 -41.12 -27.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.572 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ARG . 73.8 ttt-85 -73.64 -47.29 41.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.78 -53.78 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.42 -24.37 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.49 92.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.4 t70 -72.92 -35.96 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.048 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.7 m -52.81 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -63.75 -42.54 97.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.515 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.58 -61.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.619 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.3 t0 -53.77 -21.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -86.37 -40.72 15.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 64.7 t80 -63.71 -39.37 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.89 -59.26 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -52.16 -16.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 74.3 t80 -87.09 5.35 38.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.44 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.0 Cg_endo -79.6 160.49 25.16 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.831 2.354 . . . . 0.0 112.132 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -99.26 -2.98 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.4 mmtt -125.82 31.3 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.708 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.5 p -43.26 100.4 0.22 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.1 Cg_endo -82.35 144.41 12.95 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.835 2.357 . . . . 0.0 112.139 -178.254 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 79' ' ' ALA . 13.3 p -74.53 -23.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.595 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.76 -20.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.62 -62.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -47.0 -43.36 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -57.14 -44.21 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -179.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 68.53 -72.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 -179.42 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -60.62 -39.31 87.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 15' ' ' LEU . 5.1 tp -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.399 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.54 -43.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tttt -67.35 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.36 -17.63 8.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.32 -53.67 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.5 tt -54.68 -32.21 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -62.6 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -57.72 -39.58 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.9 tttt -67.81 -16.16 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -55.46 -5.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 92' ' ' LYS . 61.3 t -40.77 -68.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 -178.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.63 ' OD1' HG12 ' A' ' 95' ' ' VAL . 0.4 OUTLIER 165.58 60.15 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 178.474 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.594 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.5 Cg_endo -89.45 -159.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.874 2.383 . . . . 0.0 112.094 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.9 -23.44 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 178.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.09 -43.73 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.3 ttp -67.45 -35.13 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.18 -20.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' ALA . 5.2 t -93.42 -53.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.33 -24.1 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 178.578 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -87.62 -56.22 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.607 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -62.34 -42.92 99.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.15 84.98 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.66 155.16 34.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.28 -40.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.407 HD22 ' OG1' ' A' ' 116' ' ' THR . 91.2 mt -93.76 115.95 28.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -164.52 -155.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -60.93 -45.17 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -63.28 -35.22 79.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.62 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.5 p -73.05 153.56 40.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.37 -39.87 92.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.407 ' OG1' HD22 ' A' ' 110' ' ' LEU . 4.1 p -105.16 112.48 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -112.82 -6.37 13.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.23 -40.42 97.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 55.35 44.7 26.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -134.18 137.67 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -70.03 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.31 129.61 45.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -111.11 122.47 47.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -107.8 142.09 38.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.585 -179.901 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.446 H101 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' A' ' 5' ' ' LEU . 83.4 mt-30 -45.1 -50.04 11.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.608 -179.627 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.644 ' OE2' ' H21' ' A' ' 201' ' ' MYR . 50.9 mp0 -40.78 -15.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 179.161 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 3' ' ' GLN . 4.3 tt -59.57 -43.43 93.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.544 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -55.24 -44.13 75.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.572 178.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.03 -39.9 90.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 178.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.887 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 82.6 t60 -59.32 -33.22 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.11 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 14' ' ' GLN . 78.0 ttt-85 -53.38 -47.61 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -60.64 -53.48 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 8' ' ' HIS . 2.5 t -43.01 -35.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -72.31 -32.32 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 -178.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' TYR . 26.8 mt-30 -70.57 -43.3 69.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.68 -41.03 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -62.53 -39.0 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.19 -42.33 99.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.552 -179.096 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.7 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.156 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.567 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.1 mt -59.35 -25.91 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -66.35 -30.46 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.6 p -75.44 -4.13 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -92.76 5.03 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.526 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -2.78 53.12 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 19' ' ' LEU . 3.2 p -66.41 151.21 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.578 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.1 ptmt -52.24 -167.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.77 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -124.06 148.97 46.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -71.26 134.26 46.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.14 11.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 29.6 t0 -47.31 -49.3 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.196 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.98 -60.95 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -178.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 45.2 tp -45.3 -47.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 15.0 mmtt -76.96 -50.09 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 38' ' ' VAL . 56.8 t80 -47.63 -64.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.016 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.4 t80 -57.49 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -178.166 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 m-20 -49.51 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -177.554 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 m-85 -64.52 -50.72 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 -177.488 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 34' ' ' PHE . 50.5 t -48.4 -60.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -178.642 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -65.99 -40.91 91.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -178.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 47.9 t0 -64.72 -70.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -177.663 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 50' ' ' THR . 95.7 mt -64.38 -42.75 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 -178.547 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.82 78.78 23.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -178.663 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -78.28 -22.77 9.4 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.827 2.351 . . . . 0.0 112.098 178.003 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -123.44 2.4 9.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -144.79 68.18 14.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.92 0.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.797 2.332 . . . . 0.0 112.109 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.1 -51.38 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -103.97 -78.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.83 115.12 0.04 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.5 p -117.25 166.4 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.535 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.421 HG21 H142 ' A' ' 201' ' ' MYR . 1.6 pp -86.43 127.14 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 -179.446 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -134.48 140.63 46.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -95.74 -39.72 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.19 -48.7 67.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.4 mtp180 -67.9 -68.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 69.9 t90 -38.47 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.629 HH12 ' HE1' ' A' ' 83' ' ' TRP . 56.2 ttm-85 -74.37 -46.2 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttt85 -63.39 -53.9 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' OD1' ' A' ' 40' ' ' ASP . 67.8 t -72.37 -20.79 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.09 -47.88 35.3 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 65' ' ' ASP . 17.0 t70 -66.59 -40.18 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.596 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.8 m -52.09 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.1 -46.43 89.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.591 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.67 -63.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -178.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.0 t0 -49.66 -23.99 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 179.828 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -86.97 -35.37 18.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -67.61 -43.68 79.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' THR . 24.9 p-10 -72.41 -58.54 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' ASN . 44.7 m -48.01 -18.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 84.1 t80 -84.58 4.85 30.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 51.98 71.21 0.7 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.47 161.2 31.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.742 2.294 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -103.04 -1.9 28.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.153 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -121.2 29.91 7.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.3 p -44.41 101.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -178.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -83.14 144.49 11.85 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.743 2.295 . . . . 0.0 112.07 -178.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.71 -16.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.45 -20.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 -179.18 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.539 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -44.32 -43.8 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 179.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 m -59.37 -44.4 92.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -53.65 177.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.096 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.685 ' CZ3' ' ND2' ' A' ' 84' ' ' ASN . 51.5 t90 64.97 -63.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.685 ' ND2' ' CZ3' ' A' ' 83' ' ' TRP . 8.8 m120 -59.99 -43.16 95.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 85' ' ' LEU . 69.7 mt -66.35 -37.4 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -55.11 -44.79 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -62.03 -58.89 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.547 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.91 -19.22 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.458 ' HG ' H143 ' A' ' 201' ' ' MYR . 0.1 OUTLIER -67.08 -59.01 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 179.819 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -52.17 -35.75 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.028 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 78.3 m-20 -57.44 -64.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.09 -36.96 71.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.851 ' NZ ' ' H81' ' A' ' 201' ' ' MYR . 6.1 mttp -64.92 -12.06 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -48.42 -7.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 93' ' ' LYS . 15.5 t -52.89 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.555 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 5.9 t30 163.59 68.58 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.2 Cg_endo -90.24 -163.74 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.854 2.369 . . . . 0.0 112.067 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.5 -27.8 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.52 -44.74 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 36.5 ttp -67.67 -31.09 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.462 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.69 -49.19 60.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.53 -13.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.462 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t -98.09 -52.97 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.841 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.55 10.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 103' ' ' VAL . 57.5 tt0 -126.61 -47.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.559 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 55.2 m -66.36 -19.1 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 59.18 50.95 7.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 110' ' ' LEU . 96.7 mt-10 -53.64 -20.29 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 109' ' ' ILE . 8.3 tp -40.83 82.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.517 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' H ' HD12 ' A' ' 110' ' ' LEU . 9.0 mp 35.37 75.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.487 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HG2' ' H ' ' A' ' 114' ' ' SER . 83.8 tttt -146.56 98.63 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.039 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.46 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 18.3 t -66.95 -40.98 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.614 178.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -46.44 -38.0 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.566 ' H ' ' HG2' ' A' ' 111' ' ' LYS . 5.9 m -81.77 -18.99 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 112' ' ' SER . 53.9 tt0 -173.83 -94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.16 136.38 18.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 179.053 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 112' ' ' SER . 55.8 m-20 -67.34 -33.82 76.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 120' ' ' HIS . 36.3 mt -62.39 -39.96 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 56.09 7.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' H ' ' C ' ' A' ' 118' ' ' LEU . 46.9 m80 -144.86 138.01 26.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.517 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -65.93 -43.92 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -120.57 145.78 47.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -86.76 123.13 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -106.43 146.62 30.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.543 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.555 -179.758 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.887 ' H91' ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 5' ' ' LEU . 87.5 mt-30 -50.98 -42.59 60.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 98' ' ' GLN . 94.6 mt-10 -45.43 -12.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.9 tt -48.64 -34.43 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.804 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -61.12 -40.55 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.41 -38.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.82 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 86.2 t60 -57.65 -40.77 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.61 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -47.51 -50.11 24.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -59.31 -54.31 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.27 -38.77 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.95 -36.77 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -66.0 -41.22 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.551 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -63.87 -39.45 94.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.562 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -62.08 -42.74 99.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -55.01 -51.99 64.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.563 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.06 12.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.39 -35.14 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.05 -15.17 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.5 p -86.75 -2.63 58.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -95.91 1.55 53.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.32 2.66 90.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.9 p -64.05 144.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.7 ptmt -52.08 -165.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.17 103.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -124.62 153.27 42.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -77.49 131.19 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -41.8 12.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -54.14 -57.72 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.28 -62.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.49 -44.29 25.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -178.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' NZ ' H122 ' A' ' 201' ' ' MYR . 81.3 tttt -78.68 -52.63 8.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -178.026 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 91.2 t80 -52.43 -54.52 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' ' CE ' ' A' ' 39' ' ' LYS . 5.8 t80 -60.65 -57.98 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -178.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -51.32 -57.09 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -178.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.01 -56.62 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -178.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 34' ' ' PHE . 44.9 t -44.05 -51.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CE ' ' CZ ' ' A' ' 35' ' ' PHE . 38.0 mttm -66.49 -44.68 81.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' C ' ' A' ' 40' ' ' ASP . 60.8 t0 -62.57 -71.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -178.168 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.457 HG21 ' O ' ' A' ' 50' ' ' THR . 87.5 mt -58.23 -44.01 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 -178.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -122.03 81.01 43.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 -178.744 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -81.65 -22.72 5.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 0.0 112.174 179.131 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.29 -3.35 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -145.45 75.05 13.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.535 -179.302 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -79.83 3.25 7.73 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -61.53 -52.4 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -121.74 -82.67 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.2 103.58 0.03 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 178.284 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 41' ' ' ILE . 2.7 p -86.57 165.96 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.559 179.044 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.56 131.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 143.06 44.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 16.7 mt -94.03 -34.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.86 -47.67 68.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.514 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.6 mtp180 -68.76 -68.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 -179.726 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.5 t90 -38.89 -27.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.816 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -73.93 -46.22 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' ARG . 76.4 ttt-85 -64.97 -52.95 53.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.169 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.3 -24.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -43.46 78.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' ASP . 5.1 t70 -73.11 -40.37 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.567 -179.006 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.9 m -50.01 -66.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.139 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -64.6 -47.09 79.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.634 ' NE2' ' CE2' ' A' ' 82' ' ' TYR . 17.0 tt0 -63.55 -61.82 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -178.138 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASP . 23.8 t0 -55.26 -26.89 42.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -80.91 -46.04 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -64.6 -40.1 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -76.33 -62.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 -178.507 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 88.9 m -43.69 -29.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.42 -55.12 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.73 68.65 0.26 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.532 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.3 Cg_endo -77.36 164.54 28.75 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.843 2.362 . . . . 0.0 112.094 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -101.41 -1.13 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -123.34 25.88 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.721 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.7 p -44.4 102.65 0.3 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.53 150.59 14.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.797 2.332 . . . . 0.0 112.075 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.55 -25.99 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.561 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.8 mt -45.16 -28.4 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.577 ' O ' ' CD1' ' A' ' 82' ' ' TYR . . . -48.86 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 82' ' ' TYR . 55.1 m-85 -46.35 -39.08 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 85' ' ' LEU . 4.7 p -65.15 2.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.18 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.634 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 0.1 OUTLIER -90.51 171.31 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.549 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.816 ' HE1' HH12 ' A' ' 57' ' ' ARG . 90.9 t90 65.88 -54.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 82' ' ' TYR . 35.7 t30 -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.487 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 81' ' ' SER . 95.0 mt -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.5 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 -179.102 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -68.34 -60.72 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.6 pt-20 -56.14 -20.49 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.98 -54.95 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -54.81 -32.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.765 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -62.38 -65.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.0 mttt -59.52 -42.08 91.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.579 179.193 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.597 ' NZ ' H101 ' A' ' 201' ' ' MYR . 69.2 tttt -64.65 -15.9 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -52.36 -4.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG12 ' OD1' ' A' ' 96' ' ' ASN . 13.4 t -41.7 -68.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.684 ' OD1' HG12 ' A' ' 95' ' ' VAL . 1.5 p30 163.88 60.7 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 178.662 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.03 -156.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.833 2.355 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.528 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 53.8 tp60 -61.0 -23.12 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.527 179.221 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.58 -44.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.79 -33.97 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.55 -51.13 59.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.57 -19.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 t -92.22 -53.47 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 179.347 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.75 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 178.259 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -83.31 -56.05 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.6 m -63.44 -42.62 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -117.4 75.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.19 153.48 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.5 pt -72.86 9.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.413 HD22 ' OE2' ' A' ' 119' ' ' GLU . 61.9 mt -115.01 81.26 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.51 ' HG3' ' H ' ' A' ' 114' ' ' SER . 55.3 pttt -153.2 168.71 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.598 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.6 t -62.22 -43.82 97.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.59 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -53.21 -39.9 64.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.51 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 4.5 t -107.1 121.02 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 54.69 -122.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.9 p -142.49 154.91 44.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -77.06 -19.53 56.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 -179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.38 -36.33 83.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE2' HD22 ' A' ' 110' ' ' LEU . 92.6 mt-10 59.15 95.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.85 -43.19 96.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.92 150.86 33.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -118.21 138.91 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -121.88 128.68 51.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.572 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -110.1 143.28 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.506 179.992 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.82 ' H91' ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.581 ' C ' ' H ' ' A' ' 5' ' ' LEU . 88.3 mt-30 -48.54 -45.53 37.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -48.47 -6.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.581 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.7 tt -60.02 -41.55 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.313 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -55.03 -45.54 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.06 -40.67 98.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.544 ' NE2' HG23 ' A' ' 12' ' ' VAL . 76.7 t60 -58.21 -40.88 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.261 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -51.95 -58.66 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -52.01 -43.1 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.6 m-85 -63.5 -51.95 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG23 ' NE2' ' A' ' 8' ' ' HIS . 2.1 t -43.79 -35.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.547 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -72.14 -34.42 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.1 mt-30 -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.605 -179.572 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.58 -41.96 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.429 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.93 -38.36 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.91 -45.7 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.008 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 -60.07 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.351 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 24' ' ' VAL . 63.9 mt -55.16 -25.55 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.367 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -66.23 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 p -70.22 -15.05 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.593 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH21 ' HA ' ' A' ' 19' ' ' LEU . 81.0 mtt85 -82.0 3.83 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.459 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 -0.47 63.25 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 19' ' ' LEU . 1.7 p -64.92 150.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.675 0.274 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.5 ptmt -51.34 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -107.09 101.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -122.6 160.55 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -84.17 135.14 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.27 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.5 t70 -52.41 -55.98 18.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 31' ' ' LEU . 34.9 tp -64.52 -61.04 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 -178.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -45.6 -46.63 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HZ3' H122 ' A' ' 201' ' ' MYR . 75.6 tttt -78.21 -49.89 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.479 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 38' ' ' VAL . 75.4 t80 -47.5 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 -179.639 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.446 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.7 t80 -57.43 -51.9 67.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -178.285 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.3 t0 -52.76 -60.59 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 -177.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.11 -57.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' PHE . 53.5 t -43.05 -59.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.14 -44.52 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -178.624 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 63.3 t0 -60.78 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.663 HG23 ' NE ' ' A' ' 55' ' ' ARG . 89.2 mt -63.39 -44.51 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 -179.017 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -119.86 80.88 25.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.297 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.3 -20.9 9.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.786 2.324 . . . . 0.0 112.118 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -124.69 -3.15 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.551 -178.511 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 47.6 m-85 -138.37 62.22 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.82 3.05 3.52 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.849 2.366 . . . . 0.0 112.086 -179.314 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.39 -48.76 76.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -115.96 -82.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.25 94.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.542 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -86.66 170.73 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.491 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.6 pp -90.65 129.1 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 95.2 m-20 -138.03 141.43 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.69 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.7 mt -90.67 -39.44 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.03 -45.71 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NE ' HG23 ' A' ' 41' ' ' ILE . 31.8 ttp180 -69.28 -67.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.533 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 50.6 t-105 -38.56 -30.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' ARG . 59.1 ttp180 -72.04 -46.36 57.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.1 ttm-85 -62.43 -59.41 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG11 ' OD2' ' A' ' 40' ' ' ASP . 92.2 t -69.01 -21.92 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -48.63 32.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.7 t70 -69.4 -42.57 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.562 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.7 m -50.17 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.608 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.18 -44.69 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.76 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.5 t0 -49.75 -36.67 26.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.115 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -73.29 -44.58 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.649 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.93 -42.3 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.86 -63.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.174 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 30.4 m -43.91 -28.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.64 -55.58 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 126.02 70.66 0.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.405 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 59.0 Cg_endo -79.48 162.02 25.07 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.86 2.374 . . . . 0.0 112.17 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -101.78 -3.26 28.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.44 29.88 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.677 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -42.7 101.43 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -81.67 148.51 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.744 2.296 . . . . 0.0 112.154 -178.429 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.59 -14.51 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.42 ' O ' ' OG ' ' A' ' 81' ' ' SER . 82.4 mt -49.08 -21.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.513 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 82.2 p -64.99 -42.13 94.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.688 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -53.09 169.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.279 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.688 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 67.97 -59.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.486 -179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 64.8 m-20 -61.08 -43.26 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 85' ' ' LEU . 38.5 mt -66.9 -37.27 84.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -52.92 -45.32 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -66.56 -57.22 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -58.76 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.56 -58.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.4 tt -54.18 -31.69 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -60.74 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.4 mmtt -60.54 -40.82 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.729 ' NZ ' H102 ' A' ' 201' ' ' MYR . 82.3 tttt -62.94 -14.53 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -57.91 -3.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 93' ' ' LYS . 11.0 t -45.41 -70.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -178.211 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.564 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 17.4 t30 169.44 61.17 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.52 -156.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.842 2.361 . . . . 0.0 112.132 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.49 -20.6 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.12 -44.88 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -70.62 -28.01 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.01 -46.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.29 -15.05 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 12.0 t -93.95 -53.86 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -27.58 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -83.99 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.84 83.86 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.529 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.01 151.19 47.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.47 HG23 ' HG ' ' A' ' 110' ' ' LEU . 14.1 tt -59.96 -27.76 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.47 ' HG ' HG23 ' A' ' 109' ' ' ILE . 64.5 mt -89.05 112.4 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.622 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -158.89 161.71 36.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 114' ' ' SER . 38.2 t -63.09 -41.43 99.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -39.91 -38.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' GLN . 16.0 p -75.76 161.73 28.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' SER . 78.0 mt-30 -36.48 -66.14 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -130.35 157.4 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.547 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -67.27 -38.52 85.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 118' ' ' LEU . 96.1 mt -66.68 -40.33 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 -179.734 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 56.79 24.62 9.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -115.85 128.01 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.82 -41.93 95.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.517 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -110.73 136.95 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -139.87 95.03 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -111.6 145.49 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.544 179.932 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.729 H102 ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 5' ' ' LEU . 90.5 mt-30 -43.23 -47.0 6.37 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.461 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 57.3 mp0 -41.61 -15.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.358 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.6 tt -59.34 -44.06 92.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.194 179.209 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -55.07 -45.73 75.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.117 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.73 -42.45 95.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.48 179.339 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -53.14 -36.1 60.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.1 -63.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.372 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -52.09 -45.14 64.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.347 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.2 -51.09 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.535 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -46.53 -34.83 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -71.19 -36.9 72.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.745 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.59 -41.07 80.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.53 -39.65 94.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.344 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.0 -40.04 94.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.55 -56.41 14.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 93.7 mt -61.64 -23.75 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.457 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.16 -36.2 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -68.14 -10.26 52.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.21 -1.84 56.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.79 -1.27 16.58 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.813 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.0 p -64.36 64.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.0 ptmt 36.98 -165.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 0.0 110.498 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.7 t -117.84 108.77 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.237 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HZ1' HD13 ' A' ' 78' ' ' ILE . 12.2 ptmt -116.7 150.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.609 -179.735 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.753 ' O ' HD12 ' A' ' 32' ' ' LEU . 98.2 m-85 -80.8 133.66 35.66 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -89.01 -37.02 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.626 0.726 . . . . 0.0 111.734 178.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 6.5 t0 -55.44 -62.67 1.53 Allowed 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.797 -178.03 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.69 -59.93 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.379 . . . . 0.0 111.843 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 28' ' ' TYR . 98.0 mt -47.52 -43.66 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.667 ' HZ1' H131 ' A' ' 201' ' ' MYR . 76.9 tttt -80.21 -47.57 14.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.924 0.393 . . . . 0.0 111.638 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 64.9 t80 -51.62 -54.23 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.527 -178.835 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.78 -51.14 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 98.1 m-20 -54.23 -59.51 4.57 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.21 -60.82 3.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.798 0.333 . . . . 0.0 111.461 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 44.0 t -43.64 -60.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.256 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.28 -46.83 81.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.552 -179.102 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 60.5 t0 -57.07 -69.56 0.15 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -178.592 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG21 ' O ' ' A' ' 50' ' ' THR . 97.5 mt -64.2 -43.17 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.697 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.68 79.23 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.102 0.477 . . . . 0.0 111.112 -179.465 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.08 -18.61 9.95 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.788 2.326 . . . . 0.0 112.262 179.417 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -122.19 -7.33 8.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.257 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 3.1 m-85 -138.36 67.77 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.82 4.06 4.44 Favored 'Trans proline' 0 C--N 1.3 -1.975 0 C-N-CA 122.942 2.428 . . . . 0.0 112.236 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.62 -49.89 74.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -121.58 -78.78 0.6 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.3 100.49 0.02 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 41' ' ' ILE . 3.7 p -87.44 168.93 12.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 0.0 110.192 179.636 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG21 H142 ' A' ' 201' ' ' MYR . 1.6 pp -88.25 125.51 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -129.95 137.63 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.464 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.68 -38.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.24 -46.61 79.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 65.9 mmt-85 -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.42 -179.592 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 63.0 t-105 -41.06 -36.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -72.17 -44.6 62.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.635 178.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 88.2 mtt-85 -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.467 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.523 HG11 ' OD2' ' A' ' 40' ' ' ASP . 67.9 t -72.0 -22.82 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.33 -46.85 55.13 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 33.9 t70 -69.35 -39.25 78.24 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.082 0.468 . . . . 0.0 110.429 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.7 m -50.88 -66.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.619 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -63.12 -47.12 84.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.88 -62.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.251 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -50.61 -24.29 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.54 -39.29 20.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.533 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 76.8 t80 -64.68 -41.3 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' N ' ' A' ' 70' ' ' PHE . 56.7 m-20 -70.77 -60.29 2.33 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.7 m -47.42 -16.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.071 0.462 . . . . 0.0 110.234 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 90.2 t80 -87.7 4.13 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 54.72 68.44 1.68 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 63.2 Cg_endo -78.92 160.01 27.36 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.008 2.472 . . . . 0.0 112.138 179.616 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -101.79 2.13 38.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.61 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -124.78 26.3 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.9 p -44.16 99.97 0.22 Allowed Pre-proline 0 CA--C 1.533 0.32 0 O-C-N 123.61 0.569 . . . . 0.0 109.982 -178.376 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.86 144.26 13.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.864 2.376 . . . . 0.0 112.695 -178.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.67 -7.12 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 67.5 mt -53.03 -20.26 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -58.27 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 0.0 110.674 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -43.94 -47.91 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 46.1 p -63.87 -42.78 97.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.5 m-85 -53.7 177.2 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.638 -179.575 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.525 ' O ' ' CE3' ' A' ' 83' ' ' TRP . 0.8 OUTLIER 60.97 -67.25 0.05 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.399 0.619 . . . . 0.0 110.652 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 82' ' ' TYR . 53.5 m-20 -51.92 -41.01 61.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.42 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.54 -33.7 76.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -56.8 -41.75 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.946 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tmtt? -65.26 -56.42 12.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -59.45 -21.45 60.07 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.179 0.514 . . . . 0.0 110.499 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.589 HD13 ' HZ1' ' A' ' 33' ' ' LYS . 10.4 mt -71.98 -53.24 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.978 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.1 tt -51.9 -32.64 14.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 121.553 0.692 . . . . 0.0 110.181 -179.787 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -60.05 -59.32 5.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.812 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -58.16 -36.65 73.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.297 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.912 ' HZ2' ' H81' ' A' ' 201' ' ' MYR . 7.3 mmtt -54.64 -23.16 15.97 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.248 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -45.56 -12.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.0 111.357 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 93' ' ' LYS . 4.3 t -52.59 -65.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.482 ' N ' HG12 ' A' ' 95' ' ' VAL . 1.1 m120 163.87 65.12 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 110.268 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 20.1 Cg_endo -92.05 -166.2 0.16 Allowed 'Trans proline' 0 C--N 1.294 -2.307 0 C-N-CA 123.107 2.538 . . . . 0.0 112.663 -178.415 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -68.01 -25.08 65.22 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.065 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.48 -42.69 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.343 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mmm -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -45.63 68.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.579 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.47 -16.35 0.57 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -91.67 -53.43 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.183 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.31 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.452 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -79.48 -53.38 6.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -60.95 -42.95 99.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.498 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -127.48 85.5 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.531 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.42 148.02 51.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 pt -55.84 -37.48 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 74.8 mt -94.47 111.07 22.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.141 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -149.03 153.88 38.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.72 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 114' ' ' SER . 27.9 t -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -40.18 -33.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.488 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 112' ' ' SER . 15.0 p -74.32 164.33 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.747 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -42.82 -58.16 2.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.4 p -134.63 144.79 48.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.425 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.86 -36.86 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.708 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.1 mt -63.92 -40.7 97.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 118' ' ' LEU . 88.6 mt-10 56.73 149.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -134.94 137.48 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.25 -44.79 96.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -78.28 142.06 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.462 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -121.02 147.96 44.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.437 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -110.33 159.28 17.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.48 -179.81 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.912 ' H81' ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.1 mt-30 -46.07 -46.09 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.562 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 7' ' ' GLN . 38.4 tp10 -43.19 -15.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 179.79 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.564 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.1 tt -55.21 -42.78 73.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -59.09 -41.63 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' OE1' ' OE2' ' A' ' 4' ' ' GLU . 55.3 tt0 -66.34 -36.72 83.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -60.28 -37.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.69 -63.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -48.85 -47.71 42.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLN . 6.2 m-85 -61.03 -53.01 62.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -44.11 -37.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -69.57 -37.57 77.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 mm-40 -66.16 -42.04 89.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.26 -41.15 98.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -59.74 -46.4 89.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -57.72 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.366 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -31.12 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -61.32 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.607 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 17' ' ' GLN . 29.9 p -75.71 -5.25 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 -179.222 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 70.5 mtm180 -92.55 -1.91 56.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.35 90.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.7 p -63.26 147.59 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.607 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.09 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.34 100.28 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -120.4 153.26 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.94 133.61 36.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -89.22 -42.12 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 27.8 t0 -52.05 -55.63 19.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.481 -178.75 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.19 -62.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 -178.207 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -45.97 -45.48 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HE2' H131 ' A' ' 201' ' ' MYR . 71.7 tttt -78.01 -50.07 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.588 -178.686 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.3 t80 -48.59 -64.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 -179.657 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -57.53 -51.25 70.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -178.732 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -53.44 -60.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -178.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -60.64 -58.8 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 34' ' ' PHE . 43.5 t -42.32 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -178.502 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -64.2 -41.02 97.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 -178.276 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -63.64 -71.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.417 HG21 ' O ' ' A' ' 50' ' ' THR . 97.3 mt -62.72 -42.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.28 81.09 29.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.609 -179.037 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -80.31 -21.39 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.866 2.377 . . . . 0.0 112.091 179.05 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -125.06 4.03 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -144.28 69.55 15.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.64 -0.21 10.47 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.856 2.37 . . . . 0.0 112.075 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.62 -54.0 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -103.65 -79.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.607 179.18 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.77 115.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.9 p -116.75 161.97 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.331 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.7 131.62 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -135.73 142.13 44.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.548 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.25 -39.56 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.9 -47.73 70.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.26 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' ARG . 94.4 mtt-85 -69.97 -68.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 46.5 t90 -38.01 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.557 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.749 HH22 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -75.06 -45.09 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.741 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' ARG . 94.0 mtt180 -64.61 -56.23 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.292 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.0 t -71.93 -22.58 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -45.86 59.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 65' ' ' ASP . 24.4 t70 -68.21 -37.76 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.548 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.6 m -53.67 -67.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.5 -45.08 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -64.18 -61.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.7 t0 -55.61 -20.41 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.98 -42.77 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 74.8 t80 -62.72 -39.55 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -71.47 -56.08 6.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.586 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 m -52.09 -21.8 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 82.9 t80 -80.19 2.09 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.07 73.56 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.636 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.9 Cg_endo -79.87 158.47 24.36 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.885 2.39 . . . . 0.0 112.106 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -100.03 0.89 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -127.19 31.23 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.263 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.7 p -45.28 102.97 0.32 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.357 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.95 145.4 14.06 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.77 2.313 . . . . 0.0 112.117 -178.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -76.08 -19.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.84 -20.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -46.43 -40.94 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 68.8 m -61.95 -42.93 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.2 m-85 -55.35 178.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.647 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HE1' HH22 ' A' ' 57' ' ' ARG . 68.5 t90 65.63 -62.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.622 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 82' ' ' TYR . 21.6 m-80 -61.32 -42.69 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.502 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD23 ' CD ' ' A' ' 88' ' ' GLU . 86.6 mt -67.57 -35.55 79.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.37 -44.03 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -67.77 -59.81 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.9 pt-20 -58.75 -19.32 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.089 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.89 -57.59 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -51.77 -36.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.439 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 93.1 m-20 -57.41 -62.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -26.05 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' A' ' 95' ' ' VAL . 4.0 mttp -80.03 -13.44 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -46.77 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.535 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.7 t -47.45 -68.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.515 -179.393 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.498 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 9.3 t30 168.01 67.23 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 179.392 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 31.9 Cg_endo -90.45 -166.96 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.827 2.351 . . . . 0.0 112.107 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.78 -26.57 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.8 t -56.65 -45.02 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtp -70.43 -30.52 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -65.74 -51.95 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.28 -13.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.7 t -101.04 -53.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.83 8.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.513 178.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 103' ' ' VAL . 69.3 tp60 -123.66 -46.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.595 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.6 m -68.88 -15.42 63.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 56.51 55.99 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.685 ' O ' ' C ' ' A' ' 109' ' ' ILE . 92.3 mt-10 -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 1.057 HG23 ' H ' ' A' ' 110' ' ' LEU . 7.4 tt 0.53 -73.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.057 ' H ' HG23 ' A' ' 109' ' ' ILE . 1.2 mp -129.34 -17.28 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.077 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -77.3 126.25 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -88.23 -175.02 4.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.524 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.5 -39.59 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.1 p -165.89 25.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -121.26 179.3 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -77.7 167.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.603 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.83 -26.71 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.62 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -42.0 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 55.08 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -111.48 136.12 51.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.57 139.55 51.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -113.1 127.36 56.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.525 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.78 133.8 43.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' HIS . 53.5 p-80 -102.43 122.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.484 ' OXT' ' CG ' ' A' ' 125' ' ' HIS . 41.8 p-80 . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.54 H102 ' HE2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.7 mt-30 -42.72 -37.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 83.8 tt0 -38.75 -23.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.643 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.8 tt -50.24 -43.83 53.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.595 179.049 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -59.98 -38.58 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.386 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.634 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 79.8 t60 -53.86 -40.41 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -63.99 -63.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -48.24 -48.16 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.2 m-85 -62.53 -55.84 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.561 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -40.94 -39.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -69.32 -36.61 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 -179.196 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.3 mt-30 -65.65 -43.89 88.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 -178.802 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -61.59 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 -179.407 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.68 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.314 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.637 ' O ' HG23 ' A' ' 21' ' ' THR . 95.4 mt-30 -57.55 -51.03 71.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.63 -57.32 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -178.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.27 -32.47 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -62.29 -21.47 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.175 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 17' ' ' GLN . 34.4 p -82.5 -2.7 54.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.105 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.82 3.48 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.16 84.62 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -60.89 147.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.3 ptmt -54.49 -168.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.97 97.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.316 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -118.63 149.95 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.322 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -77.27 133.08 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.4 13.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.568 ' CG ' ' HE2' ' A' ' 8' ' ' HIS . 18.7 t0 -52.6 -56.61 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.85 -62.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.589 -178.605 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.8 tp -44.91 -45.46 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 -179.162 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -79.09 -48.77 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -178.37 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.1 t80 -49.56 -63.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.29 -53.78 54.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -51.6 -60.66 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -178.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -61.08 -56.75 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.0 t -44.75 -61.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -178.639 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -63.45 -42.43 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -177.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -62.27 -70.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 -178.511 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' THR . 95.5 mt -63.17 -43.25 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.31 80.87 37.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -178.912 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -80.62 -20.39 8.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.345 . . . . 0.0 112.112 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -123.15 -0.35 8.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 66.1 m-85 -144.02 65.73 14.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.205 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.16 4.01 5.19 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.812 2.341 . . . . 0.0 112.052 -179.32 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.39 -48.43 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -109.14 -78.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 179.179 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.5 p -102.63 161.83 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.54 178.509 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -74.58 129.69 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -131.45 139.96 49.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 71.4 mt -94.13 -40.42 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.43 -47.42 73.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.9 mtt180 -72.3 -68.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -178.68 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 27.7 t90 -37.66 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.746 HH12 ' HE1' ' A' ' 83' ' ' TRP . 61.7 ttm-85 -75.15 -44.6 45.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.5 ttm180 -63.72 -58.66 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -69.79 -24.1 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.76 62.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -178.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' ASP . 8.0 t70 -70.27 -38.25 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -51.67 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -64.93 -43.99 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 -178.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -65.5 -62.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -178.691 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 61' ' ' ASP . 22.9 t70 -54.5 -32.26 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.611 -178.71 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -76.48 -42.85 42.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -67.2 -37.81 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.04 -61.8 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 82.7 m -42.97 -31.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -178.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.99 -53.87 43.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.466 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.24 71.88 0.3 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.134 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 57.9 Cg_endo -80.61 165.89 20.08 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.764 2.309 . . . . 0.0 112.126 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -101.95 1.62 36.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.588 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -126.17 29.85 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.8 p -43.59 102.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.514 -179.451 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -81.67 144.16 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.8 2.333 . . . . 0.0 112.096 -178.362 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.2 -23.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.62 -24.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.15 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -46.94 -41.69 16.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.427 ' OG ' HD11 ' A' ' 85' ' ' LEU . 5.3 t -61.28 -44.87 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -54.26 179.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 -179.651 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.746 ' HE1' HH12 ' A' ' 57' ' ' ARG . 45.8 t90 64.16 -61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 82' ' ' TYR . 29.6 m-20 -61.48 -42.71 99.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.532 HD23 ' CD ' ' A' ' 88' ' ' GLU . 82.5 mt -66.96 -34.42 77.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.628 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.94 -43.87 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.6 tttt -65.86 -61.51 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -57.73 -20.58 35.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.15 -58.31 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.604 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.2 tt -52.86 -34.4 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 86.3 m-20 -58.38 -65.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.26 -42.72 99.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.988 ' HZ2' H143 ' A' ' 201' ' ' MYR . 82.2 tttt -63.94 -13.76 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -58.26 -2.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.878 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -44.58 -62.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -177.736 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.878 ' H ' HG13 ' A' ' 95' ' ' VAL . 1.2 m120 164.33 60.12 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.9 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.791 2.327 . . . . 0.0 112.111 179.065 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.507 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 68.0 tp60 -65.17 -26.34 68.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.026 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.97 -44.91 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.443 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mmm -70.01 -28.77 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.92 -50.95 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.51 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 -13.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 105' ' ' GLN . 10.2 t -98.04 -52.71 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.589 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.33 13.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 178.514 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 103' ' ' VAL . 86.2 mt-30 -128.8 -49.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.8 m -66.04 -19.34 65.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 58.49 69.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' O ' ' OE2' ' A' ' 119' ' ' GLU . 96.9 mt-10 -71.05 156.34 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.559 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.655 HG23 ' HG ' ' A' ' 110' ' ' LEU . 7.2 tt -49.28 -32.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.655 ' HG ' HG23 ' A' ' 109' ' ' ILE . 83.4 mt -102.42 133.18 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -160.44 -175.0 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.2 t -63.44 -40.5 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 115' ' ' GLN . 62.3 t30 -70.02 49.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.2 m -47.38 -12.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 113' ' ' ASN . 67.5 tp60 -60.66 -42.08 96.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 179.624 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.7 p -136.2 96.71 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.88 -3.05 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 118' ' ' LEU . 95.6 mt -64.01 -38.73 92.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' OE2' ' O ' ' A' ' 108' ' ' GLU . 97.5 mt-10 56.17 -98.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -114.11 142.29 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -95.06 121.6 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -115.59 153.02 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.643 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -103.89 130.73 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 124' ' ' HIS . 11.2 p80 -90.34 143.27 26.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.603 -179.916 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 201' ' ' MYR . . . . . 0.988 H143 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.83 0.348 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -55.3 -41.07 71.87 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.118 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -65.01 -36.75 85.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.36 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -64.85 -34.71 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.249 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.93 -59.77 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.149 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -53.7 -43.46 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.37 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.7 m-85 -61.89 -49.97 74.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.732 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.72 -37.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.36 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.76 -36.31 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.6 mt-30 -67.95 -41.01 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.339 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -62.5 -39.03 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.294 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.69 -44.1 97.1 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -53.41 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HG12 ' A' ' 24' ' ' VAL . 67.2 mt -61.52 -26.32 67.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 110.205 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -63.94 -34.31 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.496 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -73.7 -13.58 61.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -79.86 1.49 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 2.5 73.12 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -68.82 149.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.559 0.218 . . . . 0.0 110.468 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.2 ptmt -51.67 -165.6 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.744 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -111.39 105.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 111.453 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HD3' HD22 ' A' ' 32' ' ' LEU . 14.9 ptpt -132.18 164.98 25.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.69 134.31 35.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 -46.89 10.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 39.1 t0 -54.17 -51.58 63.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.082 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.48 -58.94 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.517 0.511 . . . . 0.0 111.525 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD22 ' HD3' ' A' ' 27' ' ' LYS . 53.4 tp -49.08 -42.53 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.976 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -76.03 -48.77 19.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.0 m-85 -51.86 -64.9 0.67 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.508 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -47.87 -57.4 5.71 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.332 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -55.57 -58.12 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.785 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CZ ' ' NE1' ' A' ' 56' ' ' TRP . 7.0 m-85 -66.12 -54.92 19.65 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 86.0 t -43.64 -44.7 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.935 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -79.84 -21.21 44.44 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.299 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' PHE . 8.8 t70 -74.44 -66.73 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.035 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 41' ' ' ILE . 33.6 pt -84.86 -15.98 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.615 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 45' ' ' PHE . 2.2 m -130.35 63.13 68.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.1 -23.72 15.59 Favored 'Trans proline' 0 C--N 1.301 -1.934 0 C-N-CA 122.717 2.278 . . . . 0.0 112.906 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 44' ' ' TRP . 15.8 t90 -122.04 -3.67 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p90 -145.58 75.31 13.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 121.001 0.429 . . . . 0.0 111.425 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.4 5.99 5.42 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.981 3.121 . . . . 0.0 111.665 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -62.0 -51.78 66.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.406 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -115.8 -78.44 0.58 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.84 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . 63.13 88.46 0.04 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -82.68 163.42 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.18 125.42 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.079 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 63.2 m-20 -132.17 139.33 48.34 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.698 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 86' ' ' ILE . 46.1 mt -94.19 -40.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.294 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -46.72 80.16 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.967 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 52' ' ' ASP . 50.6 mtm180 -72.26 -63.89 1.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.546 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.629 ' NE1' ' CZ ' ' A' ' 37' ' ' PHE . 44.8 t90 -42.84 -27.85 0.21 Allowed 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 55' ' ' ARG . 59.3 ttp180 -72.83 -46.19 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 81.4 mtp180 -63.52 -52.29 61.82 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.116 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.31 -23.87 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.282 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.45 -50.5 37.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.0 t70 -64.97 -40.87 95.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.91 -45.62 92.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.98 -61.84 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.955 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -51.76 -24.75 6.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.068 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -83.36 -43.55 15.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.66 -44.14 97.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.05 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.56 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.9 m -51.32 -17.21 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.4 t80 -84.85 5.41 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.12 72.04 0.61 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.55 159.87 38.91 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.742 2.295 . . . . 0.0 112.261 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -100.74 -9.0 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -121.97 39.04 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.182 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -46.64 102.61 0.31 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.255 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -82.24 143.23 12.48 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.654 2.236 . . . . 0.0 112.8 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 -22.19 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.691 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.4 mt -47.75 -21.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.363 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.66 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 110.472 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -47.29 -42.04 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.672 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 m -59.38 -42.33 91.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.71 179.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.169 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 53.1 t90 68.31 -65.58 0.26 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.806 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.51 -40.7 92.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.6 HD23 ' CD ' ' A' ' 88' ' ' GLU . 24.6 mt -66.05 -33.43 75.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.884 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 HG12 ' A' ' 53' ' ' ILE . 25.6 mm -60.12 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.29 -58.37 6.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.6 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -59.37 -21.03 59.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.77 -54.53 15.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 tt -53.17 -37.31 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.315 0.578 . . . . 0.0 109.551 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.48 -62.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.031 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.4 -10.41 11.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 95' ' ' VAL . 8.9 mttp -86.42 -14.85 42.1 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.784 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -47.46 -9.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -51.68 -64.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.332 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 1.5 t-20 162.9 69.57 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.637 0 CA-C-O 121.351 0.596 . . . . 0.0 110.554 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -92.23 -168.0 0.21 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 123.186 2.59 . . . . 0.0 111.664 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.84 -24.74 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.9 t -58.84 -44.77 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 84.2 mtp -69.29 -30.05 68.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.21 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.98 -47.65 67.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -15.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.482 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.408 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.0 t . . . . . 0 C--N 1.328 -0.329 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.455 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.757 0.313 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -60.78 -37.66 82.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 95' ' ' VAL . 54.3 tt0 -67.22 -38.77 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.92 -37.73 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.07 -62.55 1.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -51.33 -43.44 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.041 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.8 m-85 -62.74 -52.88 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.657 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.3 t -44.46 -37.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.24 -38.45 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' TYR . 85.4 mm-40 -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.066 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.2 mm? -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -61.94 -42.31 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.659 ' O ' HG23 ' A' ' 21' ' ' THR . 87.7 mt-30 -58.04 -48.23 80.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.84 -54.76 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 mt -64.38 -32.98 74.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.024 0.44 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.3 -23.22 65.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 17' ' ' GLN . 39.2 p -87.37 -3.75 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.679 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -90.05 9.26 28.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.657 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.88 35.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.4 p -65.52 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.543 0.211 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 24' ' ' VAL . 10.9 ptmt -51.82 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.643 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.26 107.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -130.66 149.13 52.46 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.156 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -69.76 134.27 48.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.185 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.1 -45.21 12.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.8 t0 -48.83 -50.44 34.47 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.236 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.36 -59.88 4.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.474 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -47.56 -46.94 28.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.617 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 17.4 mmtt -76.55 -47.48 22.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.0 t80 -51.64 -63.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.678 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.2 t80 -58.84 -50.12 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.617 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -52.04 -59.43 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 m-85 -65.5 -49.39 69.18 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.948 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.6 t -49.75 -58.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -66.84 -40.46 87.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.524 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.11 -67.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.694 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.37 -43.65 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.27 77.61 13.27 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 121.364 0.602 . . . . 0.0 111.093 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.71 -22.61 11.79 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.309 2.006 . . . . 0.0 112.286 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 94.1 m95 -122.79 1.98 9.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.293 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TRP . 74.0 m-85 -144.67 66.22 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.44 1.16 9.06 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.054 2.502 . . . . 0.0 111.978 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.12 -50.93 66.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -99.28 -78.16 0.51 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.428 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.27 116.75 0.05 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -125.86 156.38 39.7 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.425 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.9 pp -76.25 128.34 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.303 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 88.6 m-20 -136.2 144.71 45.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.426 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.8 mt -97.71 -40.27 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HB3' HH22 ' A' ' 58' ' ' ARG . 64.9 mmtt -66.21 -44.85 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.238 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.1 mtt180 -71.43 -65.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.029 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -44.61 -21.93 0.07 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -75.69 -48.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.843 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 55' ' ' ARG . 94.0 mtm-85 -63.62 -55.02 26.86 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.063 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.15 -22.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.9 62.6 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 32.6 t70 -70.44 -39.42 74.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -52.48 -65.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.839 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -63.44 -46.7 85.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.81 -59.63 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.17 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.3 t0 -56.13 -30.42 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.196 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -74.49 -45.03 48.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -65.67 -39.35 91.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -78.59 -60.58 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.229 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 33.6 m -46.73 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.415 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -65.28 -53.15 48.44 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.581 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.49 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.26 70.24 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.3 Cg_endo -81.57 160.33 19.41 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.105 2.536 . . . . 0.0 112.304 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -102.85 2.74 35.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -124.66 23.31 8.07 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -44.41 100.92 0.24 Allowed Pre-proline 0 CA--C 1.532 0.256 0 O-C-N 123.516 0.51 . . . . 0.0 110.081 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.91 154.04 19.65 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.853 2.369 . . . . 0.0 112.7 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p -76.85 -25.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.557 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.2 mt -45.66 -24.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -55.43 -64.58 0.8 Allowed 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.565 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -43.37 -34.51 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.861 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -37.39 85.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.16 162.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.501 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 7.2 t90 68.83 -60.39 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -58.47 -45.88 87.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.748 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -38.35 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.057 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mm -58.13 -43.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.25 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 90' ' ' ILE . 8.2 tttm -65.87 -59.67 3.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.556 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -56.85 -22.46 36.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.47 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -55.3 10.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.029 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.2 tt -51.9 -32.68 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.07 -63.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.452 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.97 -10.49 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.477 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 95' ' ' VAL . 2.7 mttp -89.7 -15.91 31.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -46.11 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 93' ' ' LYS . 24.1 t -47.67 -64.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER 162.02 67.67 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 CA-C-O 121.456 0.646 . . . . 0.0 110.61 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.12 -168.62 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.026 2.484 . . . . 0.0 112.25 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.508 ' NE2' ' HB3' ' A' ' 101' ' ' ALA . 68.3 tp60 -61.78 -30.89 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.203 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 51' ' ' ILE . 72.8 t -50.74 -42.42 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.941 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.435 ' SD ' ' ND2' ' A' ' 96' ' ' ASN . 62.0 ttp -65.96 -35.31 80.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.508 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . . . -67.48 -51.18 54.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.6 -17.23 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.157 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.6 t . . . . . 0 C--N 1.331 -0.23 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.493 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.759 0.314 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -58.87 -41.56 87.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.686 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.633 ' NE2' HG21 ' A' ' 95' ' ' VAL . 62.4 tt0 -63.43 -40.02 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.197 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.7 -39.63 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -59.35 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.051 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -51.33 -44.59 62.02 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.295 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.6 m-85 -59.76 -52.57 64.91 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.464 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.88 -36.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.449 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.2 mt-30 -64.31 -41.69 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.84 -40.87 98.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -62.06 -40.48 95.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 21' ' ' THR . 96.0 mt-30 -58.4 -47.46 83.8 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.257 0.551 . . . . 0.0 110.412 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.3 -56.56 19.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.78 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.96 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.89 -21.4 60.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.7 p -78.83 -4.54 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -92.02 -1.43 57.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.36 89.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -61.97 145.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.679 0.276 . . . . 0.0 110.45 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.4 ptmt -53.57 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.95 99.99 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -122.53 154.72 37.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.92 133.59 35.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.208 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.21 -45.7 10.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.1 t70 -54.22 -53.53 52.36 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.83 -59.68 3.63 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.392 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.4 tp -48.47 -41.81 30.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.352 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -81.76 -48.16 11.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.385 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.3 t80 -52.65 -57.16 10.95 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.605 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -62.09 -51.95 65.88 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.624 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -53.52 -56.19 19.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 111.103 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.19 -54.38 34.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.692 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.8 t -45.21 -56.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.833 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -63.37 -41.3 98.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 53.5 t0 -66.69 -67.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.276 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.62 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -117.86 77.69 11.96 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.82 -22.3 7.71 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.633 2.222 . . . . 0.0 112.195 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 m-90 -121.85 0.3 9.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 43.1 m-85 -141.49 66.37 23.09 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.781 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.57 -2.19 12.37 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 C-N-CA 122.896 2.397 . . . . 0.0 112.144 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.82 -48.8 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -98.65 -76.13 0.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.81 109.99 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 p -124.08 159.18 30.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' HD12 ' A' ' 51' ' ' ILE . 2.3 pp -76.45 130.86 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.296 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -135.18 143.86 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.455 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.5 mt -98.06 -40.26 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -66.08 -44.32 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.5 mtt-85 -72.82 -65.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.486 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 70.0 t-105 -43.62 -22.82 0.05 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 55' ' ' ARG . 56.2 ttp180 -76.84 -47.9 20.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -63.16 -55.49 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.461 . . . . 0.0 111.24 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.37 -22.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.68 -45.39 66.23 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 13.8 t70 -68.54 -39.82 80.97 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.66 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.17 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.59 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.86 -46.05 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.96 -60.37 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.044 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 44.1 t0 -54.0 -23.42 13.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.272 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.39 -40.33 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 82.8 t80 -63.28 -42.69 99.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.348 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.84 -55.06 9.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -54.73 -18.23 4.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.503 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 64.3 t80 -82.83 0.0 46.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.665 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.51 71.72 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.6 Cg_endo -77.62 155.28 31.43 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 123.008 2.472 . . . . 0.0 112.272 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -101.18 1.52 39.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -126.51 33.0 5.07 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.714 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -44.32 100.57 0.23 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 O-C-N 123.862 0.726 . . . . 0.0 110.009 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -81.45 144.85 14.55 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.909 2.406 . . . . 0.0 112.627 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 p -78.48 -12.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.744 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 82' ' ' TYR . 84.8 mt -50.51 -18.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -57.49 12.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.476 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.07 -47.59 61.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.86 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 78.2 p -59.76 -36.66 77.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 3.2 m-85 -68.19 177.5 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.1 t90 64.4 -65.38 0.14 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.433 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 94.0 m-20 -60.61 -42.65 97.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -66.14 -33.5 75.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.837 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.05 -42.52 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.9 tmtt? -66.29 -58.72 4.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.512 0.672 . . . . 0.0 110.521 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.06 -21.47 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.6 -56.75 7.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.098 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -52.22 -31.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.335 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.06 -62.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.0 mttt -63.33 -43.83 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.55 ' C ' ' H ' ' A' ' 95' ' ' VAL . 79.2 tttt -59.93 -17.36 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -52.99 -5.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.532 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' LYS . 86.5 t -43.49 -65.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.528 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 5.1 m-20 165.02 60.55 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 0.0 110.904 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.1 Cg_endo -91.24 -156.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 123.09 2.527 . . . . 0.0 112.194 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.84 -28.29 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.933 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.9 t -54.39 -44.71 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.168 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.58 -31.86 71.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.76 -52.84 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.255 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.2 -18.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.9 t . . . . . 0 C--O 1.224 -0.251 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.227 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -57.82 -38.99 76.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.39 -39.07 91.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.07 -40.74 81.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.496 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.84 -62.38 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.218 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -51.11 -43.01 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.799 ' OH ' HG21 ' A' ' 95' ' ' VAL . 5.0 m-85 -62.24 -51.34 68.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.63 -36.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.377 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.45 -39.99 77.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.585 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.5 -42.85 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -62.23 -41.08 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -62.59 -41.6 99.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.225 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -58.52 -46.02 87.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.837 0.351 . . . . 0.0 111.095 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.27 -52.64 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.598 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 24' ' ' VAL . 48.0 mt -67.42 -29.74 69.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.462 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -59.72 -28.75 67.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.621 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 76.7 p -78.37 -4.14 46.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.828 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.549 HH22 ' CB ' ' A' ' 81' ' ' SER . 81.5 mtp180 -93.81 0.2 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.87 -2.54 32.76 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.66 61.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 O-C-N 123.628 0.252 . . . . 0.0 110.393 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.7 ptmt 36.14 -163.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.18 0.3 . . . . 0.0 110.282 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.04 109.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HD3' HD22 ' A' ' 32' ' ' LEU . 81.1 tttt -123.72 156.87 35.18 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.371 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -83.47 134.23 34.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.238 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.84 -40.41 16.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 25.9 t0 -55.43 -58.04 9.39 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.177 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.23 -60.44 3.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.45 . . . . 0.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' A' ' 27' ' ' LYS . 61.6 tp -48.77 -45.55 40.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.196 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.66 ' HZ1' HD11 ' A' ' 89' ' ' LEU . 79.6 tttt -76.92 -47.66 20.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.373 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 81.0 t80 -51.95 -64.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.42 -50.55 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.485 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.21 -58.0 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -57.53 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.67 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CE2' ' A' ' 34' ' ' PHE . 53.3 t -45.99 -58.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.643 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -63.97 -44.77 91.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 37.2 t0 -61.24 -66.76 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.33 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 50' ' ' THR . 96.0 mt -66.17 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -118.94 78.44 16.33 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.365 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.89 -18.7 8.87 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.641 2.227 . . . . 0.0 112.148 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 2.9 m0 -120.94 -8.76 9.34 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.339 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 19.0 m-85 -136.76 69.46 58.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 0.0 110.493 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.33 1.92 7.84 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.791 2.327 . . . . 0.0 112.371 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.84 -50.53 70.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -103.04 -76.7 0.58 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.78 112.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.0 p -124.4 164.28 20.0 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -79.2 125.24 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -128.86 137.4 51.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.042 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -93.41 -41.62 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.4 -46.61 76.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.494 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 57' ' ' ARG . 93.9 mtt-85 -70.93 -64.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.566 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.449 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 41.9 t90 -43.3 -26.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.857 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 55' ' ' ARG . 76.9 ttt-85 -74.02 -46.64 42.2 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.684 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.68 -50.96 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.028 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.46 -24.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -47.94 62.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.8 t70 -68.81 -41.26 78.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 0.0 110.808 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.9 m -49.86 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.92 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.19 -46.33 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.529 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -53.54 -32.71 51.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.195 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -73.36 -45.84 52.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.55 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.029 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.58 -61.0 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 28.3 m -46.85 -28.07 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.277 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.45 -52.81 50.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.479 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.91 70.8 0.32 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 70.9 Cg_endo -81.07 163.4 20.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.18 2.586 . . . . 0.0 112.622 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -101.7 1.19 37.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -126.63 27.89 6.01 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.45 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.15 100.42 0.23 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.838 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.13 148.47 16.92 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.702 2.268 . . . . 0.0 112.909 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ALA . 10.4 p -75.29 -22.06 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.311 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.33 -21.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.258 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.94 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -46.41 -42.23 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.684 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.549 ' CB ' HH22 ' A' ' 22' ' ' ARG . 19.3 m -59.24 -42.59 91.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.82 173.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.46 -72.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -60.34 -41.27 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.275 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.64 -39.05 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -59.75 -43.22 91.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 0.0 109.889 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.05 -59.28 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.322 0.582 . . . . 0.0 110.886 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -57.74 -20.49 35.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.085 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD11 ' HZ1' ' A' ' 33' ' ' LYS . 2.9 tp -63.05 -57.69 9.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.713 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.22 -34.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.44 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.502 . . . . 0.0 110.688 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.9 mttm -59.86 -41.49 91.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.944 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 95' ' ' VAL . 83.3 tttt -64.46 -18.16 64.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -55.81 -5.77 0.18 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 92' ' ' LYS . 79.6 t -43.8 -65.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.091 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 6.0 m-20 166.92 61.45 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 121.355 0.598 . . . . 0.0 111.32 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.9 Cg_endo -90.91 -158.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 123.054 2.503 . . . . 0.0 111.717 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -65.34 -21.45 66.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.273 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.49 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.952 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.3 mmm -70.4 -31.13 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.373 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.14 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.87 -18.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.105 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.338 179.108 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -59.24 -48.4 81.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.086 0.469 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -65.76 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.266 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -66.87 -32.26 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -38.94 93.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -69.65 -44.27 70.9 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.65 -51.49 68.26 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.34 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.35 -46.11 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.4 -35.2 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.696 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -43.44 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -41.31 97.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.091 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -61.66 -40.67 95.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.221 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.8 -42.32 97.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.95 10.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.738 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 65.3 mt -61.45 -25.74 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -65.38 -34.73 79.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.762 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -74.89 -5.0 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -88.82 7.86 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.32 -4.76 31.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.8 p -66.34 151.61 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.613 0.244 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 9.9 ptmt -51.06 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.651 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.7 t -112.92 109.74 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.9 tttt -131.42 151.22 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.505 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -69.61 135.63 50.2 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.274 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.14 -44.57 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.116 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.1 t0 -53.53 -54.17 41.05 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -61.29 2.38 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.064 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 61.8 tp -47.82 -45.15 29.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' NZ ' HD21 ' A' ' 89' ' ' LEU . 77.8 tttt -77.25 -50.53 12.68 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.204 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.2 t80 -49.71 -62.69 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -57.94 -52.18 66.57 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.301 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 60.3 t0 -53.34 -59.73 4.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.252 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.28 -57.9 9.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.423 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.6 t -44.33 -56.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -64.39 -41.71 96.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' OD1' HG11 ' A' ' 59' ' ' VAL . 66.5 t0 -64.51 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.14 -43.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -118.91 79.37 17.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -80.0 -20.49 8.78 Favored 'Trans proline' 0 C--N 1.302 -1.875 0 C-N-CA 122.622 2.215 . . . . 0.0 112.385 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -123.47 -2.23 8.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.1 m-85 -141.43 65.51 21.46 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.06 0.457 . . . . 0.0 110.728 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.95 3.9 4.64 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 123.107 2.538 . . . . 0.0 112.191 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.1 -48.51 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.643 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -115.96 -78.5 0.58 Allowed 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.591 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.24 90.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 p -86.74 169.99 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -83.56 124.18 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 90.7 m-20 -137.13 141.0 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.4 mt -93.49 -33.58 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.99 -46.48 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 58' ' ' ARG . 99.5 mtt180 -70.62 -65.71 0.7 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CE3' ' OD2' ' A' ' 40' ' ' ASP . 44.3 t-105 -42.01 -30.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.091 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.69 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 58.4 ttm-85 -71.43 -50.21 34.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 55' ' ' ARG . 85.7 mtm180 -63.24 -52.63 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.556 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.5 t -71.91 -23.02 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.56 -47.09 43.83 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -68.91 -40.6 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 110.717 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.9 m -50.99 -66.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.944 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -63.06 -44.78 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -65.93 -62.78 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.0 t0 -50.35 -37.66 38.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.672 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.13 -45.9 58.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -63.23 -43.32 98.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.747 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -75.5 -61.89 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 31.4 m -45.39 -28.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.42 -54.73 24.41 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.4 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.61 71.07 0.25 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.3 Cg_endo -79.67 160.7 24.93 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.027 2.485 . . . . 0.0 112.439 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -101.63 -2.31 30.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -122.71 27.08 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.47 101.16 0.25 Allowed Pre-proline 0 N--CA 1.452 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.083 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -81.38 150.91 17.44 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.944 2.43 . . . . 0.0 112.549 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.9 p -75.9 -20.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.494 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 92.9 mt -45.37 -21.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -59.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -45.37 -45.29 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 p -57.63 -42.15 82.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.62 178.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.69 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 2.5 t90 71.39 -69.24 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.415 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.12 -41.83 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.21 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.78 -44.66 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.559 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -60.49 -57.09 14.21 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.063 0.459 . . . . 0.0 110.614 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -16.63 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.389 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.49 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 13.9 tp -64.42 -59.13 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.355 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.29 -32.64 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 94.3 m-20 -60.24 -66.72 0.48 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.102 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.9 mttt -51.52 -37.66 50.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -71.39 -13.97 62.02 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-O 121.16 0.505 . . . . 0.0 110.5 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 69.4 tt0 -60.92 -7.31 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.483 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.7 t -44.17 -66.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.769 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 4.5 m-20 165.24 63.62 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 121.691 0.758 . . . . 0.0 110.806 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 13.0 Cg_endo -90.08 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 123.211 2.608 . . . . 0.0 112.047 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.43 -16.3 61.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.417 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.85 -45.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.9 mtp -83.58 -25.58 30.79 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.611 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.91 63.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.14 80.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.001 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.464 0.244 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.015 -178.275 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -59.26 -44.67 92.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.18 -36.02 82.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.49 -39.11 86.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.231 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.24 -62.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -51.76 -46.81 64.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.408 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 5.8 m-85 -60.58 -52.71 64.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.314 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.63 -38.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.416 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.13 -36.2 79.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.693 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.9 mm-40 -66.63 -41.74 87.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.3 -40.33 97.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.269 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 21' ' ' THR . 85.6 mt-30 -56.49 -46.57 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.859 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.71 -54.86 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.8 -30.98 72.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.89 -28.02 68.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 17' ' ' GLN . 72.4 p -79.74 -4.41 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.809 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.424 HH22 ' HB3' ' A' ' 81' ' ' SER . 81.9 mtp180 -91.05 1.87 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.626 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.72 87.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.3 p -63.72 147.13 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.654 0.264 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.42 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.68 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.735 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' CE ' HD22 ' A' ' 32' ' ' LEU . 47.6 tttp -126.72 148.4 49.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.348 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -71.16 130.81 42.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.328 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.21 -40.55 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.617 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.6 t70 -54.45 -56.14 21.71 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.64 -58.56 5.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.447 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' A' ' 27' ' ' LYS . 55.7 tp -49.7 -42.99 47.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -80.6 -46.98 14.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 80.5 t80 -53.49 -54.07 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.696 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.32 -50.93 65.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.82 -60.69 3.43 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 61.8 t80 -53.97 -64.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.841 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.96 -58.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.23 -43.55 97.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.885 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.528 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 62.0 t0 -55.51 -67.26 0.3 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.496 -178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.1 pt -72.59 -25.81 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.654 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.2 72.72 78.51 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 111.043 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -79.95 -17.02 11.01 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 122.503 2.136 . . . . 0.0 112.053 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 96.3 m95 -122.09 -3.76 9.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m-85 -144.48 69.06 15.35 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 110.956 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.11 3.81 5.85 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.65 2.233 . . . . 0.0 112.01 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -61.82 -51.75 66.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.621 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -121.89 -79.98 0.62 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.082 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 95.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 p -83.04 160.6 21.91 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.6 pp -76.89 131.91 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 91.0 m-20 -136.73 144.92 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.1 mt -93.58 -35.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.479 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -65.41 -47.63 75.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.1 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 95.7 mtt-85 -71.54 -64.71 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.716 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 53.1 t-105 -42.14 -31.73 0.4 Allowed 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -70.9 -45.44 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.967 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 82.7 mtp180 -64.64 -56.53 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.101 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD1' ' A' ' 40' ' ' ASP . 84.7 t -69.98 -25.92 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 -45.77 74.57 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 10.0 t70 -72.62 -42.76 64.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.0 m -49.99 -64.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.957 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.31 -47.58 81.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.489 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.11 -60.3 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.45 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.1 t0 -54.57 -30.41 54.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.396 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -78.02 -40.04 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.91 0.386 . . . . 0.0 110.955 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -68.4 -39.51 81.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -79.75 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.467 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 41.1 m -46.43 -31.07 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.398 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.61 -52.35 61.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.245 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.515 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.78 69.88 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.515 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.2 Cg_endo -81.64 163.43 18.85 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.15 2.567 . . . . 0.0 112.394 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -100.47 -0.81 37.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.45 . . . . 0.0 110.674 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -124.13 27.65 7.04 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -45.81 102.97 0.32 Allowed Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.098 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -81.7 147.78 15.59 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.75 2.3 . . . . 0.0 112.722 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.52 -24.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.6 mt -46.29 -22.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.324 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.59 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -46.94 -38.23 10.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.568 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' HH22 ' A' ' 22' ' ' ARG . 4.3 p -59.66 -46.39 89.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' ASN . 12.8 m-85 -53.38 -179.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.408 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 t90 65.36 -65.96 0.15 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.5 m120 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.05 -34.41 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.33 -43.92 78.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tmtt? -67.07 -57.17 7.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.528 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.548 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 29.7 tp10 -59.42 -22.96 62.23 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.508 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -54.55 22.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.05 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -55.21 -34.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.03 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.99 -63.9 1.14 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.834 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.548 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 59.3 mttp -63.03 -9.99 12.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.529 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' A' ' 95' ' ' VAL . 59.5 tttt -91.74 -13.2 31.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -50.67 -6.3 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.037 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 6.7 t -44.31 -68.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.707 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 2.4 t-20 159.96 62.86 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.769 0.668 . . . . 0.0 111.099 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -92.16 -157.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.723 2.282 . . . . 0.0 112.067 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.54 -21.75 62.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.149 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.27 -44.67 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.104 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.1 mtp -67.16 -33.99 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.574 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.86 66.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.51 -22.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.331 -0.214 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.401 179.338 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.964 0.411 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -59.23 -44.53 92.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.417 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -64.66 -38.84 92.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.98 -40.03 83.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.6 -62.57 1.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -50.37 -44.43 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.349 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.91 -50.63 72.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.539 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.28 -39.55 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.207 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -66.99 -37.05 83.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 92' ' ' LYS . 94.8 mt-30 -65.97 -40.85 91.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.41 -39.93 95.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -63.41 -41.06 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.063 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.82 -44.56 90.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.65 -52.44 65.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' HG12 ' A' ' 24' ' ' VAL . 95.6 mt -65.28 -29.41 70.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 0.0 110.366 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.27 -29.79 70.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 78.8 p -76.27 -5.37 46.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.781 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.572 HH22 ' CB ' ' A' ' 81' ' ' SER . 97.8 mtt180 -93.85 -1.71 54.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.357 . . . . 0.0 110.655 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.33 -1.09 36.93 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.8 p -63.58 63.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 18.8 ptmt 36.85 -162.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.45 112.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.287 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HD3' HD11 ' A' ' 32' ' ' LEU . 84.4 tttt -131.24 149.24 52.66 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.256 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -71.58 134.04 46.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -40.8 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -44.65 -48.78 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.853 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.29 -49.87 65.62 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.415 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD11 ' HD3' ' A' ' 27' ' ' LYS . 89.3 mt -52.84 -50.02 64.55 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.152 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -75.11 -47.52 28.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.315 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 38' ' ' VAL . 83.1 t80 -52.41 -60.92 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.277 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 16.2 t80 -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.286 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.7 -63.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.73 -60.89 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 59.1 t -45.66 -50.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.975 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HZ2' ' HE2' ' A' ' 35' ' ' PHE . 95.8 mttt -80.21 -21.62 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.188 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.52 -68.66 0.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 112.123 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -94.54 -3.92 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -131.98 54.67 14.77 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-O 121.419 0.628 . . . . 0.0 110.476 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 50.6 Cg_endo -70.76 -20.79 29.7 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.269 1.979 . . . . 0.0 111.914 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 90.3 m95 -120.22 -6.86 9.88 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 5.4 m-85 -137.68 71.33 51.01 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.453 . . . . 0.0 110.677 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -78.19 -3.94 13.87 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -62.12 -51.62 67.17 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.505 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -122.21 -78.73 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.971 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.95 102.0 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -78.88 169.41 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -92.0 127.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.557 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -133.65 138.35 45.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.233 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.75 -28.51 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.944 0.402 . . . . 0.0 110.469 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -64.94 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -74.53 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.752 -0.379 . . . . 0.0 109.985 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -43.26 -39.19 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 109.774 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.739 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 42.2 ttm180 -69.68 -44.57 70.17 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.675 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 75.4 ttt180 -67.41 -57.75 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.297 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.76 -27.67 41.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.76 -46.95 64.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 65' ' ' ASP . 20.2 t70 -70.81 -39.37 73.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 76.2 m -53.22 -65.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.927 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.04 -41.87 99.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.557 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.86 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 57.5 tt0 -69.31 -59.97 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.355 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -55.68 -24.7 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.306 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -85.74 -45.08 11.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.01 -41.37 97.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -76.0 -59.24 2.85 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 94.6 m -46.95 -29.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.373 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.06 -54.54 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.38 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.92 69.1 0.18 Allowed Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.494 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 68.0 Cg_endo -79.57 163.09 24.39 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.115 2.543 . . . . 0.0 112.186 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -100.63 -5.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.02 33.29 5.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -45.61 100.97 0.24 Allowed Pre-proline 0 C--N 1.33 -0.269 0 O-C-N 123.47 0.482 . . . . 0.0 109.906 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -82.5 145.09 13.07 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.909 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.7 p -77.45 -20.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -44.68 -23.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.401 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -56.72 -61.64 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.278 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -44.99 -41.97 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.606 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.572 ' CB ' HH22 ' A' ' 22' ' ' ARG . 15.3 m -60.15 -43.33 95.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.766 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.6 172.0 0.27 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.739 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 7.6 t90 71.75 -61.35 0.49 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.11 -41.98 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.589 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.35 -34.75 79.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.735 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.28 -42.36 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -65.2 -63.03 1.2 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -53.95 -22.96 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.26 -49.18 62.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.5 tt -57.07 -34.13 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.406 0.622 . . . . 0.0 109.959 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -62.19 -62.86 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 86.6 tttt -55.76 -30.05 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.947 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.596 ' O ' ' N ' ' A' ' 95' ' ' VAL . 6.0 mmtt -62.67 -28.49 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.508 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -42.93 -14.16 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 99.9 t -48.46 -64.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.081 -0.387 . . . . 0.0 111.33 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.619 ' ND2' HG12 ' A' ' 95' ' ' VAL . 2.3 p30 164.55 66.49 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.654 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -94.7 -169.38 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 123.54 2.826 . . . . 0.0 112.051 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.09 -24.08 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.191 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.85 -44.34 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.083 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mmm -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.12 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.61 -20.18 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.378 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.313 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.363 179.24 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -59.35 -41.43 89.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.12 -37.5 87.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.388 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -57.57 -42.29 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.274 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.23 -61.6 2.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.161 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -49.83 -45.15 49.87 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.281 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.64 -50.32 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.879 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.68 -39.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.69 -38.05 83.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.47 -41.5 96.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.3 mm? -64.11 -39.94 95.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.658 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.1 -42.34 99.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -60.31 -43.64 96.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.73 -53.19 60.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.468 ' O ' HG12 ' A' ' 24' ' ' VAL . 90.2 mt -65.74 -28.36 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.02 -29.07 70.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.798 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 64.7 p -78.17 -5.45 51.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.886 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -91.98 1.5 57.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 70.43 -2.4 15.53 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.99 62.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.4 ptmt 35.4 -162.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -111.89 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.303 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 32' ' ' LEU . 84.7 tttt -122.39 155.84 35.22 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.74 133.64 35.15 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.39 -42.3 12.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.711 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.3 t0 -48.91 -48.43 42.56 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.769 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.32 -60.68 3.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.954 0.406 . . . . 0.0 111.196 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 27' ' ' LYS . 94.0 mt -47.83 -45.93 30.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.36 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -76.76 -47.55 21.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.198 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.5 t80 -52.56 -62.13 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.48 -51.61 68.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.906 0.384 . . . . 0.0 111.418 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 29.6 t0 -52.59 -58.75 5.78 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ILE . 11.4 m-85 -63.1 -54.18 41.93 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.5 t -48.46 -60.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.045 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.9 -43.03 97.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 5.8 t0 -64.87 -67.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.25 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' PHE . 95.8 mt -64.45 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.514 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.1 m -119.24 78.83 18.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.192 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.24 -23.38 7.59 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.605 2.203 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -121.54 -2.54 9.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 63.3 m-85 -139.89 64.31 27.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.68 0.61 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.888 2.392 . . . . 0.0 111.98 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.84 -50.45 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -95.11 -77.24 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.303 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 112.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -123.56 170.3 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -91.99 126.57 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -135.56 139.09 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.865 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 86' ' ' ILE . 76.9 mt -94.2 -40.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.862 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.84 -44.53 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 111.03 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' N ' ' A' ' 57' ' ' ARG . 35.4 ttm180 -68.7 -65.45 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -44.66 -22.51 0.08 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.261 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 55' ' ' ARG . 74.8 ttt180 -73.56 -46.58 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.843 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -62.94 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.03 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.55 -22.77 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.78 -48.12 51.23 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.7 t70 -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.9 m -50.3 -64.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.859 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.06 -47.6 82.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.09 -60.47 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.364 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 40.1 t0 -53.76 -35.21 61.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -74.39 -45.49 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.922 0.392 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.68 -41.05 96.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.6 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 32.4 m -47.22 -28.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.76 -52.03 62.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.87 69.78 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.6 Cg_endo -76.85 163.32 31.41 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.897 2.398 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -101.03 -5.19 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.798 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -123.21 33.42 5.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.353 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -46.01 102.0 0.28 Allowed Pre-proline 0 CA--C 1.531 0.233 0 O-C-N 123.455 0.472 . . . . 0.0 109.816 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 152.62 15.24 Favored 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 122.972 2.448 . . . . 0.0 112.815 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 79' ' ' ALA . 11.2 p -78.01 -23.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 74.9 mt -45.39 -22.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -55.6 -62.81 1.44 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -47.56 -43.85 25.58 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.485 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.9 p -60.23 -41.0 92.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.32 172.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 69.47 -65.57 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.773 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -59.7 -42.42 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.218 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.17 -37.38 87.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.815 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 HG12 ' A' ' 53' ' ' ILE . 25.2 mm -53.49 -48.88 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.45 -54.8 38.7 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.588 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -56.66 -24.45 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.273 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 89' ' ' LEU . 10.8 tp -64.5 -57.56 8.87 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.908 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 3.8 tt -52.33 -36.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 82.9 m-20 -57.37 -63.59 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.18 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -56.16 -37.54 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 95' ' ' VAL . 5.2 mttp -64.71 -18.7 65.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -45.43 -12.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.4 t -47.54 -64.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.083 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 95' ' ' VAL . 1.5 m120 166.97 68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.309 0 CA-C-O 121.335 0.588 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -90.7 -173.18 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.096 2.53 . . . . 0.0 112.149 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.475 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.94 -44.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.364 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.59 -32.15 71.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.44 71.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.96 -17.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.185 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 CA--C 1.528 0.127 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.313 179.233 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -56.82 -44.48 82.08 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.266 0.555 . . . . 0.0 110.137 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.62 -35.71 80.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.137 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.09 -30.72 71.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.54 -60.36 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -55.21 -45.27 75.91 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -60.98 -52.68 63.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.27 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -43.89 -35.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -71.18 -34.21 70.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.2 mm-40 -69.72 -42.65 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.56 -40.54 97.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -63.58 -38.45 91.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.09 -43.65 91.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 111.034 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 -54.4 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.446 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.4 mt -63.86 -23.26 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.0 110.363 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -69.85 -4.62 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.759 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -92.17 2.2 56.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 0.5 63.5 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.5 p -72.06 150.68 8.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.442 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.5 ptmt -51.04 -164.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.385 0.428 . . . . 0.0 110.601 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -109.14 97.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -100.07 130.89 46.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.166 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -69.69 132.65 46.48 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.958 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -90.97 -39.48 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.53 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -54.98 -62.01 1.93 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.07 -60.33 2.92 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -50.62 -40.28 52.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.538 ' NZ ' HD21 ' A' ' 89' ' ' LEU . 78.1 tttt -81.65 -48.05 12.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.108 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.6 t80 -51.55 -56.41 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.486 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.542 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.05 -58.15 8.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.356 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE2' ' CH2' ' A' ' 56' ' ' TRP . 15.7 m-85 -61.87 -56.39 19.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.443 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.4 t -41.5 -45.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.1 -21.9 36.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.38 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 40.5 t0 -70.0 -68.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.155 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 50' ' ' THR . 2.0 pt -89.04 -7.86 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.627 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -131.85 57.29 29.11 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 121.748 0.785 . . . . 0.0 110.79 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.74 -25.32 20.53 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.15 1.9 . . . . 0.0 112.251 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.433 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 6.1 m-90 -120.32 3.5 10.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 7.4 m-85 -145.82 67.61 12.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.62 -1.64 11.77 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -62.21 -50.55 71.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.459 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -121.92 -78.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.875 0.369 . . . . 0.0 110.156 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.8 103.42 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.7 p -86.38 162.34 18.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.458 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 1.3 pp -81.51 135.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.767 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' A' ' 51' ' ' ILE . 97.4 m-20 -139.03 143.21 38.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.9 -33.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.089 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -45.58 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.6 mtt180 -76.49 -63.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.602 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.64 ' CH2' ' CE2' ' A' ' 37' ' ' PHE . 71.5 t-105 -42.03 -35.1 0.81 Allowed 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.672 ' NH2' ' NE1' ' A' ' 83' ' ' TRP . 57.7 ttm-85 -71.4 -44.61 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.252 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 68.3 ttt180 -63.76 -57.45 9.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.476 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.472 HG11 ' OD2' ' A' ' 40' ' ' ASP . 55.1 t -68.62 -24.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -50.25 35.15 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.0 t70 -67.76 -43.74 79.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 82.9 m -48.47 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.14 -46.98 81.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.271 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -61.82 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -50.21 -36.41 30.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -70.64 -45.84 64.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -62.46 -44.1 97.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -74.82 -61.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.253 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 49.2 m -44.81 -29.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.324 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.44 -52.44 58.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.586 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 120.85 70.7 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.8 Cg_endo -79.5 161.5 25.2 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.075 2.517 . . . . 0.0 112.223 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -100.21 0.61 40.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -126.28 28.76 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.414 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -46.57 102.89 0.33 Allowed Pre-proline 0 CA--C 1.532 0.265 0 O-C-N 123.803 0.69 . . . . 0.0 110.097 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.74 153.12 17.36 Favored 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.794 2.33 . . . . 0.0 112.719 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.16 -13.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.412 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 82.8 mt -48.52 -22.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -56.53 -62.69 1.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.37 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -42.19 -41.45 2.7 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.168 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.323 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 3.8 t80 -59.86 167.83 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.107 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.689 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 3.2 t90 80.27 -74.19 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.65 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.19 -40.79 95.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD23 ' OE1' ' A' ' 88' ' ' GLU . 31.4 mt -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.501 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.6 -44.15 84.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.776 0.322 . . . . 0.0 110.231 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.01 -54.54 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.329 0.585 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE1' HD23 ' A' ' 85' ' ' LEU . 2.4 pt-20 -61.64 -19.45 62.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 0.0 110.258 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD21 ' NZ ' ' A' ' 33' ' ' LYS . 1.4 tp -65.3 -58.6 5.51 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.676 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.51 -34.39 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.362 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -58.66 -64.38 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 95' ' ' VAL . 88.6 tttt -61.91 -42.05 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 95' ' ' VAL . 60.2 tttt -62.95 -12.76 27.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.513 . . . . 0.0 110.743 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.33 -3.7 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.555 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 92' ' ' LYS . 95.8 t -44.36 -64.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.91 -178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER 163.58 60.04 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 0.0 110.808 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.54 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.986 2.458 . . . . 0.0 112.238 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.59 -21.86 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.218 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.26 -44.91 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.39 -29.79 68.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.13 -48.35 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.701 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.97 -16.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.2 t . . . . . 0 C--N 1.332 -0.164 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.352 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.967 0.413 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -57.74 -43.88 85.67 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.3 -39.35 89.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.441 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -57.47 -37.45 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.146 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.14 -62.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.2 -47.18 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.571 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.52 -50.61 72.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.481 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.27 -40.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 0.0 110.361 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.66 -33.9 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -69.0 -40.9 78.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.17 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.5 mm? -64.71 -40.41 95.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -62.85 -43.21 99.4 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -57.55 -47.31 82.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.345 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.58 -52.91 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.709 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.26 -30.32 70.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.1 p -58.11 -48.15 81.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -58.98 -13.92 7.86 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.034 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 79.92 9.11 87.08 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.774 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.4 p -59.15 67.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 23' ' ' GLY . 15.6 ptmt 37.52 -170.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.388 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.3 t -112.81 99.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HE2' HD11 ' A' ' 32' ' ' LEU . 47.4 tttt -114.07 172.09 7.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.326 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 79.4 m-85 -103.18 130.97 50.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.042 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.85 -41.24 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.895 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 37.7 t0 -53.86 -52.19 61.23 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.522 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.5 -56.78 11.85 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.604 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD11 ' HE2' ' A' ' 27' ' ' LYS . 97.0 mt -53.99 -42.44 69.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -78.98 -48.16 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 81.2 t80 -56.32 -52.28 65.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.777 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.73 -50.85 67.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 m-20 -56.4 -54.63 43.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.816 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.36 -50.78 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.899 0.381 . . . . 0.0 111.05 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 34' ' ' PHE . 38.3 t -49.52 -55.29 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -65.77 -44.09 86.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 63.2 t0 -62.54 -67.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.238 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' NH2' ' A' ' 55' ' ' ARG . 95.8 mt -63.54 -42.51 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -120.71 79.07 30.69 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.295 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -79.89 -22.51 7.46 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.631 2.22 . . . . 0.0 112.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -120.88 2.18 10.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.281 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.498 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 71.7 m-85 -147.85 65.81 9.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.623 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.85 1.46 7.63 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.956 2.437 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -64.06 -46.44 84.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -105.25 -78.11 0.58 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.795 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 109.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -107.98 170.99 7.65 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -92.85 124.61 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.385 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 92.7 m-20 -136.91 138.93 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -94.55 -38.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.13 -43.32 82.7 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 41' ' ' ILE . 71.6 ttt180 -72.03 -65.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.442 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -44.57 -23.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.045 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 55' ' ' ARG . 65.5 ttp85 -74.52 -46.92 36.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.54 -50.71 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.024 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.32 -22.69 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.05 -45.03 86.39 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.3 t70 -71.42 -41.0 70.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.073 0.463 . . . . 0.0 110.93 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.19 -65.44 0.56 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.5 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -62.9 -46.52 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.42 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.59 -60.62 3.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.08 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.2 t0 -51.11 -23.74 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.038 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -84.19 -41.16 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.49 -42.96 99.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -70.56 -59.33 2.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -51.46 -17.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 81.2 t80 -85.53 4.26 36.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.82 73.81 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.7 157.52 24.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.964 2.443 . . . . 0.0 112.089 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -100.93 -4.54 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -119.63 28.17 8.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.14 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.3 p -46.21 102.72 0.32 Allowed Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 123.426 0.454 . . . . 0.0 109.946 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -81.6 146.65 15.24 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.549 2.166 . . . . 0.0 112.723 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.85 -24.08 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.522 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -48.32 -24.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.272 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.97 -62.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.293 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -48.31 -42.2 30.41 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.52 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 t -59.57 -42.11 91.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.1 m-85 -59.51 -178.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.703 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 67.18 -69.57 0.13 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.627 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' TYR . 71.8 m-20 -60.38 -41.16 93.21 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.201 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.451 HD23 ' CD ' ' A' ' 88' ' ' GLU . 19.1 mt -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.879 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.55 -45.49 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.214 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.64 -56.29 23.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.438 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -59.32 -20.5 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 -179.395 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.54 -54.4 32.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.7 tt -58.52 -31.91 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.826 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.71 -64.34 0.97 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.702 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.79 -39.66 85.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -67.18 -13.93 62.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -60.9 -6.51 1.85 Allowed 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.331 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.897 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -43.46 -64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.366 -177.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.897 ' H ' HG13 ' A' ' 95' ' ' VAL . 6.0 m-20 166.43 59.69 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 111.037 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.85 -161.64 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.772 2.315 . . . . 0.0 111.244 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -19.75 66.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.65 -46.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.009 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.436 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 87.2 mtp -72.15 -33.01 67.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.434 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -59.12 -50.56 73.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.35 -17.31 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.099 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' ALA . 11.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.689 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.945 0.402 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -72.88 -31.91 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.467 ' OE1' HG11 ' A' ' 95' ' ' VAL . 89.2 mt-30 -68.46 -44.6 74.5 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -58.95 -46.8 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.491 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.23 -56.62 9.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -52.52 -43.83 65.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -58.12 -59.1 5.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.613 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -42.15 -38.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.486 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.73 -32.74 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 11' ' ' TYR . 84.0 mt-30 -70.77 -45.88 63.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.35 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.0 mm? -60.42 -39.74 88.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.14 -40.54 97.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.83 -44.97 91.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.58 -57.88 9.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.702 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.7 -25.19 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.287 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -63.71 -33.57 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 71.5 p -70.65 -11.12 60.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.736 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -85.92 -1.47 57.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.51 3.38 88.79 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -66.01 149.15 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' VAL . 7.0 ptmt -50.47 -169.38 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -109.17 105.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -123.38 174.97 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' LEU . 93.0 m-85 -97.95 134.35 41.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.231 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.16 -44.36 11.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.417 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 30.1 t0 -53.38 -54.64 33.73 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.219 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.99 -61.57 2.3 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.727 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 28' ' ' TYR . 18.8 mt -49.97 -43.78 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -77.16 -50.54 12.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.343 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 52.3 t80 -48.69 -63.44 1.09 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.426 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.65 -50.25 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.29 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 97.3 m-20 -57.77 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.581 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ASP . 12.7 m-85 -57.27 -63.05 1.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.389 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' CYS . 72.2 t -42.62 -49.35 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -73.21 -21.29 60.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.2 t0 -80.93 -68.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.496 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -68.02 -42.24 85.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -117.84 75.9 10.56 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 111.344 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.64 -20.81 13.42 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.411 2.074 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.537 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 85.4 m95 -124.85 8.28 8.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.339 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 33.7 m-85 -150.87 63.53 5.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.55 3.33 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.044 2.496 . . . . 0.0 112.075 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.08 -48.15 81.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -112.89 -76.69 0.59 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.446 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 103.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.61 131.81 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 51' ' ' ILE . 2.7 pp -46.32 129.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.508 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -131.64 139.68 49.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 86' ' ' ILE . 48.8 mt -94.07 -38.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.445 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.78 -44.88 92.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ARG . 82.5 mtt85 -73.27 -65.17 0.84 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.898 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 43.4 t-105 -41.71 -28.13 0.13 Allowed 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 67.2 ttp85 -73.08 -47.79 41.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.753 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ARG . 87.1 mtm180 -64.31 -55.93 17.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.914 0.387 . . . . 0.0 111.044 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG11 ' OD2' ' A' ' 40' ' ' ASP . 73.7 t -69.64 -23.06 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.744 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.8 -48.1 51.23 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.7 t70 -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 110.616 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.8 m -52.63 -67.28 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -60.79 -45.49 94.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.747 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -64.58 -62.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.6 t0 -52.48 -25.02 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -84.34 -42.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -62.36 -42.35 99.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -69.37 -59.73 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -50.28 -23.0 2.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 87.5 t80 -79.71 4.04 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.66 75.2 0.22 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -78.45 160.79 28.7 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.052 2.501 . . . . 0.0 112.365 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -100.11 -5.98 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.33 33.53 5.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -45.92 102.12 0.29 Allowed Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.743 0.652 . . . . 0.0 110.238 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -82.51 144.92 12.97 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.907 2.405 . . . . 0.0 112.537 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.22 -20.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.7 mt -51.83 -22.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.327 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -57.83 -64.39 0.92 Allowed 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -42.17 -32.39 0.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -61.43 -35.44 77.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -53.52 165.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.616 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.2 t90 69.55 -57.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.41 -36.29 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 53' ' ' ILE . 18.0 mm -56.93 -45.14 83.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.412 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.6 tmtt? -67.71 -59.71 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.721 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.59 -19.99 12.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.96 -54.25 10.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.27 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.9 tt -54.76 -36.56 37.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 88.6 m-20 -59.36 -63.99 1.11 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.18 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.41 -10.84 8.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.09 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 95' ' ' VAL . 51.5 tttt -89.51 -10.34 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' ASN . 24.0 tp10 -47.97 -8.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 93' ' ' LYS . 3.4 p -45.26 -17.59 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.609 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 94' ' ' GLU . 6.3 m-80 81.68 64.55 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.486 0.491 . . . . 0.0 111.387 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 59.2 Cg_endo -90.57 -129.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.392 2.728 . . . . 0.0 111.873 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.423 ' H ' ' HB2' ' A' ' 97' ' ' PRO . 63.1 tp60 -72.7 -25.87 61.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.16 -43.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.313 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.5 mmm -73.38 -26.11 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.457 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -70.2 -47.65 60.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.243 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -12.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.252 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 101' ' ' ALA . 7.1 t . . . . . 0 CA--C 1.528 0.115 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -58.07 -43.94 87.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.07 -41.02 91.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.305 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -58.58 -38.05 77.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.995 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -59.4 -61.71 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -52.85 -43.57 66.14 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.2 -50.76 71.8 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.26 -36.68 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.263 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.95 -36.71 75.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.13 -42.84 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.221 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -61.35 -38.86 88.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.16 -47.79 82.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.57 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.804 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.651 ' O ' HG12 ' A' ' 24' ' ' VAL . 69.1 mt -57.84 -27.45 63.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.541 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.27 -31.59 72.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.689 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.3 p -74.27 -15.71 60.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -79.07 2.35 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 1.44 65.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 19' ' ' LEU . 4.4 p -67.34 154.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.867 0.365 . . . . 0.0 110.684 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 ptmt -54.42 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.532 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.55 105.21 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 85.8 tttt -125.92 148.31 49.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.463 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -71.54 134.25 46.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.01 -42.02 14.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.465 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -53.87 -54.63 35.91 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.037 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 11.2 mp -63.26 -59.39 4.8 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.351 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 49.7 tp -49.52 -45.05 46.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -77.96 -47.52 18.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.051 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 38' ' ' VAL . 69.1 t80 -55.21 -50.38 69.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.484 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.4 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.748 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -55.8 -56.06 25.0 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.01 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 41' ' ' ILE . 44.4 t80 -55.85 -62.8 1.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.915 0.388 . . . . 0.0 111.883 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.5 t -43.81 -59.11 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.432 -177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -65.65 -37.76 87.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.694 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -63.94 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 37' ' ' PHE . 2.2 mt -67.59 -43.08 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.251 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -115.87 78.94 7.56 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 121.107 0.48 . . . . 0.0 111.393 -179.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -79.46 -24.29 6.53 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.374 2.049 . . . . 0.0 112.03 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 4.4 m0 -122.95 5.59 9.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.386 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 11.3 m-85 -147.2 66.42 10.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.695 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -77.34 1.44 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.854 2.37 . . . . 0.0 111.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -62.85 -50.84 69.34 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -115.9 -78.79 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.133 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.88 104.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 p -97.83 163.24 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.488 HG21 ' HZ2' ' A' ' 93' ' ' LYS . 2.0 pp -80.53 131.99 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NE ' ' A' ' 55' ' ' ARG . 97.4 m-20 -135.31 140.52 45.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.3 mt -93.57 -41.09 12.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.422 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 -45.94 80.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ARG . 52.3 mtm-85 -71.95 -64.42 0.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.645 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -43.04 -25.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -73.47 -46.12 50.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ARG . 10.7 mmm-85 -64.24 -51.65 62.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.859 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.35 -23.71 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 0.0 110.351 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.8 -48.71 53.78 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 65' ' ' ASP . 27.7 t70 -65.79 -38.16 88.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.2 m -53.82 -67.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.855 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.49 -40.44 97.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.14 -62.56 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.939 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.2 t0 -53.85 -22.97 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -82.53 -42.17 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.695 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 62.6 t80 -64.12 -41.7 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -69.26 -59.95 2.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -50.27 -20.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.395 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.2 t80 -82.93 4.48 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.93 74.03 0.33 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 57.9 Cg_endo -78.82 158.72 27.83 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.954 2.436 . . . . 0.0 112.283 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -99.99 -4.02 30.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.62 31.97 5.75 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.306 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.685 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.7 p -47.02 102.91 0.33 Allowed Pre-proline 0 CA--C 1.532 0.264 0 O-C-N 123.389 0.431 . . . . 0.0 110.239 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.29 145.05 13.36 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.665 2.243 . . . . 0.0 112.769 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.8 p -75.81 -23.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.347 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -46.03 -19.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.403 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -60.49 -60.28 4.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.4 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -45.49 -41.11 9.2 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.402 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 p -62.15 -44.99 95.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.4 m-85 -54.2 178.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 13.5 t90 65.68 -64.53 0.19 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' TYR . 70.0 m-20 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 85' ' ' LEU . 82.1 mt -67.03 -34.13 77.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.858 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.39 -44.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.208 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -66.0 -56.69 10.34 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.594 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.6 -21.37 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.445 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.41 -55.0 13.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -53.76 -33.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.011 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 91.0 m-20 -58.55 -62.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.521 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . 96.9 mttt -64.17 -40.9 97.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.0 tttt -62.89 -15.44 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.176 0.512 . . . . 0.0 111.057 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 10.9 pt-20 -55.31 -3.68 0.07 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.947 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 93' ' ' LYS . 14.9 t -45.75 -69.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.02 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.521 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 27.9 t30 170.04 60.18 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.482 0 O-C-N 123.587 0.554 . . . . 0.0 110.647 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.3 Cg_endo -91.07 -158.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 123.448 2.765 . . . . 0.0 112.028 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.81 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.313 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.18 -44.33 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.179 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.01 -31.84 70.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.58 -47.63 69.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.749 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -16.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.8 t . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.501 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -61.46 -42.14 98.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.647 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.41 -37.47 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.04 -40.9 82.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.16 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.64 -62.7 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.28 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -50.49 -44.96 56.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.741 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.73 -52.65 63.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.739 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.1 -38.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.97 -38.28 79.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -63.93 -41.33 97.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.4 mm? -64.49 -40.01 94.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.725 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.09 -40.47 95.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' ' 21' ' ' THR . 86.4 mt-30 -57.77 -45.84 85.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.28 36.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.56 -32.94 73.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.027 0.442 . . . . 0.0 110.362 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -59.46 -27.34 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.62 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.8 p -72.33 -7.61 50.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -96.14 -11.72 25.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 76.96 3.67 81.32 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.787 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -60.01 66.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.4 ptmt 37.35 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.714 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 100.47 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' ' CD1' ' A' ' 32' ' ' LEU . 64.1 tttt -112.79 159.38 19.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.308 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -91.12 131.49 36.65 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.211 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.28 -41.11 13.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.686 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -52.73 -56.1 17.99 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.83 -59.07 5.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.377 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CD1' ' NZ ' ' A' ' 27' ' ' LYS . 1.7 tt -49.24 -46.0 45.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -77.08 -48.97 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.309 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 89.2 t80 -51.51 -64.19 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.811 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 21.4 t80 -57.14 -50.19 73.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.201 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 38.7 t0 -54.05 -57.88 9.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.372 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CE2' ' NE1' ' A' ' 56' ' ' TRP . 7.3 m-85 -62.69 -56.26 19.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.544 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' CYS . 14.7 t -46.8 -56.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.715 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -67.25 -44.22 79.97 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.402 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' HG11 ' A' ' 59' ' ' VAL . 37.1 t0 -60.82 -67.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.293 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -43.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.554 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.62 79.22 30.17 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.282 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.88 -19.73 9.47 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.484 2.122 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.5 m0 -121.99 -2.6 9.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.1 m-85 -142.83 65.84 16.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.421 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.17 3.06 4.9 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.983 2.456 . . . . 0.0 112.133 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -61.96 -51.28 68.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.08 -79.16 0.58 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.106 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.39 92.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -87.25 168.91 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.13 129.38 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.759 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -133.83 141.0 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.0 mt -93.21 -38.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.53 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' ARG . 79.8 mmt-85 -77.27 -64.93 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.732 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' NE1' ' CE2' ' A' ' 37' ' ' PHE . 33.1 t90 -42.22 -31.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -73.86 -44.54 55.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.022 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ARG . 90.5 mtt-85 -64.06 -54.34 35.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.141 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG11 ' OD1' ' A' ' 40' ' ' ASP . 76.7 t -73.48 -22.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.55 -45.69 58.44 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.7 t70 -70.9 -40.59 72.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.6 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.928 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.3 -45.07 89.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.397 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -66.25 -60.8 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 111.44 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ASP . 36.9 t0 -53.73 -31.51 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.346 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.25 -45.45 40.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.871 0.367 . . . . 0.0 110.96 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -63.82 -38.7 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.619 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.57 -61.06 2.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 39.9 m -46.29 -28.78 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.385 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.5 -52.65 56.78 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.538 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.25 69.03 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.5 Cg_endo -80.75 163.35 21.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.074 2.516 . . . . 0.0 112.307 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -100.92 1.24 39.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.015 0.436 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -126.4 27.59 6.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.716 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.2 p -45.85 102.51 0.3 Allowed Pre-proline 0 C--O 1.234 0.249 0 O-C-N 123.554 0.534 . . . . 0.0 110.315 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -81.47 149.95 16.89 Favored 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.674 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.44 -16.77 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.8 mt -48.73 -25.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.178 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.26 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.467 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -49.01 -42.88 39.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.5 p -59.17 -42.73 91.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.508 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.1 m-85 -57.42 -179.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.401 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.0 t90 65.4 -64.79 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.685 0.616 . . . . 0.0 110.527 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' TYR . 65.6 m-20 -61.32 -42.45 98.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.0 -36.0 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -56.28 -43.06 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.138 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.5 tmtt? -67.76 -57.15 6.81 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -59.4 -21.82 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.418 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.29 -55.72 12.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.86 -33.87 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.139 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.54 -63.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.3 mttt -63.15 -43.31 98.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 95' ' ' VAL . 58.3 tttt -61.67 -14.75 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.685 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.54 -4.14 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.522 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' LYS . 17.2 t -43.02 -66.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.683 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.539 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 p30 165.56 59.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.042 0.214 . . . . 0.0 110.781 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.7 Cg_endo -90.9 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 123.07 2.513 . . . . 0.0 112.427 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -61.23 -22.56 64.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.128 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.17 -44.77 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 50.6 mmm -66.84 -32.9 74.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.64 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -20.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.193 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.332 -0.19 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.262 179.392 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -61.21 -44.67 96.9 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.553 . . . . 0.0 110.175 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.19 -41.37 97.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.453 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.415 ' CD2' HG23 ' A' ' 12' ' ' VAL . 7.4 t60 -61.3 -39.35 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.306 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -52.57 -57.17 10.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.036 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -50.98 -43.84 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.322 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.34 -50.72 72.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.793 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' A' ' 8' ' ' HIS . 1.5 t -45.93 -36.29 2.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.31 -36.57 77.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.483 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.69 -41.24 83.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -63.44 -41.32 98.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.029 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -61.77 -40.68 96.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.271 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.75 -43.55 94.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -55.33 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 24' ' ' VAL . 92.1 mt -59.7 -26.34 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.169 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -63.3 -35.1 79.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -69.1 -16.34 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 85.2 mtp180 -84.38 -5.3 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.62 2.32 35.25 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.772 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.7 p -64.0 64.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLY . 19.2 ptmt 36.49 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.476 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.43 106.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.621 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -124.02 144.73 49.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -70.07 133.27 47.01 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.209 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.92 -41.3 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.361 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 6.9 t0 -53.73 -56.0 21.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.181 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.58 -60.37 3.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.292 0.37 . . . . 0.0 111.351 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.76 -44.29 18.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -74.79 -49.41 20.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.974 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.869 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.7 m-85 -51.15 -67.45 0.25 Allowed 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' CE1' ' NZ ' ' A' ' 39' ' ' LYS . 51.9 t80 -44.8 -62.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 111.383 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -57.78 -61.85 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' ASP . 2.6 t80 -54.26 -67.73 0.24 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 34' ' ' PHE . 4.9 m -42.56 -38.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.075 0.464 . . . . 0.0 111.073 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' NZ ' ' CE1' ' A' ' 35' ' ' PHE . 81.4 mttt -84.2 -21.41 31.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.324 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.5 t0 -70.99 -68.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.956 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' CE2' ' A' ' 37' ' ' PHE . 2.5 pt -90.94 -4.47 10.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -134.39 56.58 18.89 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.729 0.776 . . . . 0.0 110.698 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 46.8 Cg_endo -72.21 -21.03 24.02 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.239 1.959 . . . . 0.0 112.16 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -119.84 -1.83 10.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -143.27 69.73 17.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.569 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.8 -1.04 11.22 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 123.057 2.505 . . . . 0.0 112.117 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.71 -51.05 68.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -119.5 -79.56 0.6 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.61 96.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 p -84.06 165.24 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.316 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.48 132.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.663 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -139.49 142.12 37.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.517 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -93.56 -39.25 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.63 -45.38 83.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.023 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' ARG . 93.0 mtt180 -69.95 -65.39 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.295 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 56' ' ' TRP . 43.6 t90 -42.32 -27.37 0.14 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.741 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 62.1 ttm-85 -71.56 -46.72 58.65 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.521 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ARG . 96.4 mtt-85 -63.42 -54.28 39.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.425 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.77 -23.36 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 -47.0 53.04 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.0 t70 -71.51 -43.53 66.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.4 m -49.95 -65.6 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -62.48 -47.46 83.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.231 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.48 -61.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.403 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.0 t0 -51.54 -31.94 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -77.46 -43.06 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.95 -41.69 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -75.7 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.069 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.1 m -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.73 -54.46 26.9 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.597 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.496 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.03 68.95 0.19 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.496 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.5 Cg_endo -78.4 159.46 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.061 2.508 . . . . 0.0 112.35 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -102.27 -6.06 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -116.56 24.39 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.43 100.91 0.23 Allowed Pre-proline 0 CA--C 1.534 0.333 0 O-C-N 123.814 0.697 . . . . 0.0 110.041 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.83 147.65 17.14 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.859 2.373 . . . . 0.0 112.547 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.34 -20.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.483 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 84.6 mt -52.3 -22.41 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.61 -62.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -45.78 -43.55 13.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.483 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 17.6 m -57.5 -44.35 84.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.1 m-85 -57.29 -179.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.433 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.741 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 45.9 t90 67.79 -67.07 0.19 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.448 0.467 . . . . 0.0 110.507 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 40.7 m-20 -61.18 -40.44 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD23 ' CD ' ' A' ' 88' ' ' GLU . 35.0 mt -65.6 -35.35 80.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -57.93 -42.01 81.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.192 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -67.1 -59.2 3.66 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.623 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.57 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.5 pt-20 -59.18 -18.44 36.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.589 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.67 -54.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.682 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -58.25 -30.52 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.097 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.07 -64.8 0.81 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.043 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 95' ' ' VAL . 97.9 mttt -59.56 -41.47 90.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 95' ' ' VAL . 84.3 tttt -63.81 -14.99 57.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.32 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.66 -5.17 0.52 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.936 0.398 . . . . 0.0 110.692 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.5 t -44.69 -66.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.776 -177.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.516 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.7 t30 168.34 62.01 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.474 0.654 . . . . 0.0 110.837 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.8 Cg_endo -91.46 -159.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.301 -1.929 0 C-N-CA 122.927 2.418 . . . . 0.0 112.139 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.24 -18.3 64.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.354 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.06 -44.28 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.347 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mtp -69.51 -29.13 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.474 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.43 -45.48 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.459 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -14.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.252 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.4 t . . . . . 0 C--O 1.224 -0.246 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.167 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -61.46 -40.79 95.8 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.54 -37.96 89.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.47 -40.58 95.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -49.65 -45.43 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.578 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -62.95 -51.7 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.07 -37.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.06 -37.18 75.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.8 mt-30 -66.4 -41.77 88.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.21 -39.74 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.089 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 86.2 mt-30 -58.11 -48.33 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 110.945 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.99 -54.94 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.87 -32.13 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.928 0.394 . . . . 0.0 110.618 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.76 -22.29 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.507 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' GLN . 68.8 p -87.47 -3.38 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.511 HH22 ' CB ' ' A' ' 81' ' ' SER . 89.2 mtt180 -91.85 10.39 28.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.798 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.28 -7.45 37.81 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -62.86 145.95 13.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.666 0.269 . . . . 0.0 110.532 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 24' ' ' VAL . 5.7 ptmt -52.37 -167.59 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.91 103.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.0 tttt -125.56 154.86 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.8 134.66 36.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.271 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -43.06 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.132 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.1 t0 -53.18 -56.21 18.21 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -61.03 2.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.007 0.432 . . . . 0.0 111.532 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 54.0 tp -47.99 -45.28 31.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -77.35 -49.26 15.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.917 0.389 . . . . 0.0 111.09 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.4 t80 -49.88 -61.09 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.537 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.18 -50.59 73.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -54.45 -60.76 2.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 56' ' ' TRP . 10.3 m-85 -61.2 -59.88 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.6 t -42.4 -52.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.9 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -65.15 -25.24 67.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.76 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' PHE . 56.6 t0 -85.95 -69.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.342 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 42' ' ' CYS . 1.5 pt -60.2 -43.09 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -122.82 79.97 49.42 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 121.299 0.571 . . . . 0.0 110.983 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -79.79 -23.23 7.03 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -119.55 1.15 11.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 68.2 m-85 -146.69 64.37 9.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -71.54 1.83 5.19 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.942 2.428 . . . . 0.0 112.201 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -63.77 -46.9 83.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -106.35 -79.02 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.76 117.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.66 149.37 45.52 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.76 132.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -135.44 144.42 46.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -97.18 -41.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.593 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.83 -46.69 71.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.928 0.394 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . 72.0 mmt-85 -70.93 -66.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.79 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 82' ' ' TYR . 1.3 t90 -42.12 -25.2 0.06 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -73.03 -45.17 59.19 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.14 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' ARG . 93.8 mtt-85 -64.15 -54.52 32.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -24.03 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.764 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -45.49 67.81 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.1 t70 -70.15 -42.84 71.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.991 0.424 . . . . 0.0 110.6 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -49.81 -65.01 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.78 -48.21 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.69 -61.31 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.193 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 61' ' ' ASP . 12.4 t70 -52.2 -30.4 27.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -77.26 -45.28 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.87 -40.6 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -77.68 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.6 m -45.05 -27.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.3 -53.44 43.93 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.598 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 123.53 68.75 0.22 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.508 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.8 Cg_endo -77.93 161.24 30.16 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.987 2.458 . . . . 0.0 112.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -101.48 0.52 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -124.17 27.91 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.88 101.06 0.24 Allowed Pre-proline 0 C--O 1.236 0.344 0 O-C-N 123.905 0.753 . . . . 0.0 109.866 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.75 153.71 17.52 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.775 2.317 . . . . 0.0 112.59 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.31 -9.9 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -50.64 -22.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.94 -61.79 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -44.78 -44.95 9.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.705 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.511 ' CB ' HH22 ' A' ' 22' ' ' ARG . 11.2 p -61.23 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 25.5 t80 -53.03 165.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.656 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 75.95 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.24 -41.14 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.32 -41.11 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.7 mm -55.37 -46.3 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.318 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.1 tmtt? -64.5 -58.04 7.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.184 0.516 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.559 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 26.9 tp10 -57.52 -26.95 62.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.532 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 15' ' ' LEU . 9.0 mt -65.45 -55.97 15.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 87' ' ' LYS . 5.8 tt -51.81 -35.48 17.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -57.71 -62.84 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.224 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.559 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 60.8 mttp -63.08 -38.63 91.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.588 ' C ' ' H ' ' A' ' 95' ' ' VAL . 40.0 tttt -56.02 -15.2 3.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 96' ' ' ASN . 47.9 mm-40 -45.93 -7.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.588 ' H ' ' C ' ' A' ' 93' ' ' LYS . 58.1 t -43.8 -17.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.552 ' H ' ' HD3' ' A' ' 97' ' ' PRO . 0.3 OUTLIER 88.09 63.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 O-C-N 123.877 0.736 . . . . 0.0 111.271 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.552 ' HD3' ' H ' ' A' ' 96' ' ' ASN . 17.7 Cg_endo -89.75 -147.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 123.123 2.549 . . . . 0.0 112.036 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -63.72 -29.13 70.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.332 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.4 t -51.52 -45.95 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 71.8 mmm -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -66.53 -53.66 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.455 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.99 -16.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.114 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.956 0.407 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -57.49 -45.59 84.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.15 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -60.78 -35.17 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.241 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.78 -62.59 1.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.035 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -51.27 -43.84 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.023 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 92' ' ' LYS . 5.2 m-85 -60.98 -51.83 67.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.4 t -47.35 -41.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.194 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -70.95 -35.37 72.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -68.84 -43.4 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.05 -40.74 98.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.879 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.29 -38.37 89.1 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.952 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' THR . 85.7 mt-30 -62.51 -41.99 99.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.626 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -58.29 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.62 -26.09 66.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 110.031 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -64.74 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLN . 56.5 p -70.24 -4.82 23.6 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.901 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.56 4.74 51.88 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.585 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.83 0.29 84.52 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p -63.6 145.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.358 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.7 ptmt -53.82 -164.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.43 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.71 101.2 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' CE ' HD11 ' A' ' 32' ' ' LEU . 66.6 tttt -123.61 166.53 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.396 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -91.04 131.28 36.73 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.134 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.62 -41.65 13.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.796 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.7 t0 -53.63 -50.45 65.68 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.449 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.45 -57.47 11.13 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.399 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CE ' ' A' ' 27' ' ' LYS . 17.4 mt -57.17 -44.13 83.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.354 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 72.5 tttt -74.27 -51.89 13.94 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 38' ' ' VAL . 70.3 t80 -52.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.439 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.93 -60.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.18 -58.15 9.89 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' ' NE1' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -56.56 -62.88 1.42 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.067 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 34' ' ' PHE . 5.2 m -51.52 -37.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.894 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 38' ' ' VAL . 61.0 mttp -81.31 -22.35 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.205 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 66.6 t0 -78.28 -66.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.051 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' H ' ' A' ' 52' ' ' ASP . 94.8 mt -64.52 -43.14 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.574 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.93 78.97 16.77 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.311 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.67 -18.8 10.36 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.494 2.129 . . . . 0.0 112.268 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.474 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-90 -120.14 1.3 10.83 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.385 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 8.4 m-85 -151.27 63.16 5.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.6 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.51 2.79 6.49 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.251 2.634 . . . . 0.0 112.174 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -66.51 -42.81 86.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' GLY . 28.1 tt0 -123.12 10.31 9.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.155 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . -28.14 106.6 0.01 OUTLIER Glycine 0 N--CA 1.469 0.869 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 p -97.43 170.35 9.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -90.58 132.93 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' CG ' HH11 ' A' ' 55' ' ' ARG . 95.0 m-20 -137.83 141.71 40.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.276 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.3 -42.07 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.12 -46.77 76.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.485 HH11 ' CG ' ' A' ' 52' ' ' ASP . 36.8 mtm-85 -70.17 -63.96 0.98 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.616 ' NE1' ' CE1' ' A' ' 37' ' ' PHE . 50.3 t90 -43.99 -30.52 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.92 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.08 -46.29 62.14 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.515 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -63.61 -52.67 59.87 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.061 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 61.9 t -73.32 -22.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.71 -47.71 59.98 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.3 t70 -69.81 -39.61 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.785 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.8 m -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.653 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -63.71 -43.96 95.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.09 -61.02 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.1 t0 -50.92 -25.18 4.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -84.13 -42.43 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.688 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -61.51 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' PHE . 34.8 t30 -69.81 -59.97 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -49.42 -16.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.204 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 70' ' ' PHE . 87.9 t80 -86.8 6.53 31.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.78 72.26 0.54 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.2 160.45 29.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.858 2.372 . . . . 0.0 112.167 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -100.7 -6.42 25.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -119.03 31.35 6.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.036 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -47.15 102.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.41 144.05 12.67 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.417 2.078 . . . . 0.0 113.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -27.68 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.43 -23.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.322 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.26 -62.19 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.051 0.453 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -46.52 -40.69 13.01 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.557 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 p -59.52 -44.19 93.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.672 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' ASN . 9.8 m-85 -57.16 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 47.1 t90 64.0 -67.59 0.1 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' TYR . 33.3 m-80 -60.62 -42.1 96.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.465 . . . . 0.0 110.384 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.54 -33.41 75.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.615 179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -58.11 -42.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tttt -65.42 -55.13 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.009 -0.677 . . . . 0.0 110.634 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -61.51 -23.65 66.07 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.39 -52.03 44.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.074 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.3 tt -53.92 -36.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 0.0 109.582 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -57.55 -55.44 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.263 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 98.2 mttt -60.69 -37.83 82.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.185 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' VAL . 13.3 mmtt -59.61 -15.74 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.982 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.07 -10.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.513 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 10.3 t -49.43 -66.26 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.971 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.472 ' OD1' ' SD ' ' A' ' 100' ' ' MET . 5.2 m-20 160.49 66.59 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 121.187 0.517 . . . . 0.0 109.918 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -93.69 -167.31 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 123.496 2.797 . . . . 0.0 112.013 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.49 -23.91 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.175 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -59.48 -43.48 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.996 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.472 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 63.3 ttp -65.92 -34.32 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.219 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.42 78.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.14 -20.47 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.414 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.327 -0.385 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.32 179.175 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -57.16 -44.73 83.73 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.075 0.464 . . . . 0.0 110.44 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -62.93 -36.98 85.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.62 -41.36 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.153 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.54 -62.63 1.74 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.307 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -47.17 -45.98 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.463 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.92 -50.2 74.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.077 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -44.99 -39.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.15 -39.56 82.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.72 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.72 -41.43 97.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.036 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.65 -40.46 95.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -56.61 -46.9 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.799 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.47 -32.66 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.554 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -59.42 -31.25 69.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.803 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 17' ' ' GLN . 66.8 p -74.14 -9.99 59.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.803 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -89.32 -5.21 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.07 2.3 52.3 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.3 p -63.8 64.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.5 ptmt 34.8 -162.94 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.546 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.9 t -110.57 97.8 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.517 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' CE ' HD11 ' A' ' 32' ' ' LEU . 83.5 tttt -119.57 146.91 45.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -75.68 133.58 40.77 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.511 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.08 -42.74 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.562 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 64.6 t0 -46.73 -48.87 20.29 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.993 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.53 -60.53 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 ' CE ' ' A' ' 27' ' ' LYS . 89.6 mt -47.22 -47.94 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.641 -179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.61 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 21.9 mmtt -74.78 -48.24 26.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.765 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 t80 -51.77 -64.33 0.85 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.28 -50.91 71.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.395 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 19.7 t0 -51.34 -60.31 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.557 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 3.4 m-85 -64.06 -50.45 68.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.702 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.9 t -48.09 -60.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.96 -45.08 83.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 6.3 t0 -60.84 -69.1 0.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.305 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 50' ' ' THR . 91.7 mt -62.41 -42.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -121.62 79.78 39.11 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-O 121.406 0.622 . . . . 0.0 110.909 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -81.27 -23.74 4.98 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.613 2.208 . . . . 0.0 112.561 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -119.51 -4.14 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -143.74 73.06 17.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 2.52 8.18 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.343 2.695 . . . . 0.0 111.927 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -64.42 -48.91 73.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -102.18 -79.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.707 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.32 118.39 0.07 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.2 p -122.07 167.74 12.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.757 0.313 . . . . 0.0 110.488 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -90.83 124.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.472 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -136.1 139.1 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.954 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 86' ' ' ILE . 76.3 mt -93.85 -38.46 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.728 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -45.54 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 110.562 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 57' ' ' ARG . 36.9 ttm180 -68.05 -65.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.481 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -42.5 -25.36 0.08 Allowed 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.073 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -74.19 -46.14 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.933 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.8 mtp85 -63.67 -51.61 64.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.26 -22.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.3 -47.75 56.32 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 65' ' ' ASP . 16.8 t70 -67.91 -41.2 83.0 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.663 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -51.25 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.815 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.18 -46.61 88.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.93 -62.43 1.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.033 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.6 t0 -51.32 -25.0 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.479 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -82.42 -42.69 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 79.6 t80 -61.51 -42.38 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.425 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -70.13 -58.85 3.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -51.14 -19.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.0 t80 -81.39 3.41 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.78 72.41 0.55 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.2 Cg_endo -77.34 159.24 32.99 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 123.016 2.477 . . . . 0.0 112.288 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -102.12 -3.96 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -121.07 30.22 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -46.35 102.68 0.32 Allowed Pre-proline 0 C--O 1.235 0.34 0 O-C-N 123.709 0.631 . . . . 0.0 110.125 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.91 152.27 16.74 Favored 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 122.921 2.414 . . . . 0.0 112.601 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -79.34 -7.28 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.04 -20.89 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.456 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -63.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -43.76 -44.38 6.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.531 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -60.58 -43.43 97.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -55.71 164.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.12 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.71 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.1 t90 78.84 -65.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.9 -41.83 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD23 ' CD ' ' A' ' 88' ' ' GLU . 79.8 mt -65.9 -41.02 92.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG12 ' A' ' 53' ' ' ILE . 20.9 mm -50.63 -51.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.715 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.59 -53.92 47.32 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.25 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.2 pt-20 -57.67 -25.81 60.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.74 -59.91 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 5.7 tt -53.59 -36.86 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.609 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.416 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 85.5 m-20 -58.34 -65.21 0.69 Allowed 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.498 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.66 -15.55 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 95' ' ' VAL . 8.2 mtpt -89.21 -11.66 43.05 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -51.86 -11.08 0.13 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -47.63 -66.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -178.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.447 ' H ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 166.32 66.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 178.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 37.4 Cg_endo -91.48 -164.96 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.165 2.577 . . . . 0.0 112.086 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.77 -26.37 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.203 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.89 -43.23 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.044 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.5 ttm -66.09 -35.63 81.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.076 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.89 75.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -20.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.107 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.528 0.106 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.292 179.508 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -58.9 -44.3 91.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.424 HE22 ' HB ' ' A' ' 95' ' ' VAL . 57.6 tt0 -61.9 -37.9 86.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.16 -39.61 79.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.26 -64.34 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -46.54 -47.98 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.4 m-85 -61.54 -53.51 55.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.527 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -42.75 -40.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.13 -37.52 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -64.87 -44.31 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -62.07 -40.26 95.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.56 -43.6 96.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' THR . 86.6 mt-30 -56.78 -44.68 82.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.24 48.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' CD2' ' NH2' ' A' ' 22' ' ' ARG . 53.6 mt -65.09 -31.92 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.85 -27.54 66.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' GLN . 63.2 p -79.82 -4.46 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH2' ' CD2' ' A' ' 19' ' ' LEU . 97.3 mtt180 -95.42 -2.23 49.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 71.56 -2.34 23.23 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.836 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -63.26 67.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.629 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.3 ptmt 35.02 -167.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.571 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.76 106.71 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.546 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD3' HD22 ' A' ' 32' ' ' LEU . 79.3 tttt -117.87 154.98 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.0 133.73 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.23 -39.86 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.531 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.6 t70 -52.64 -59.26 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.91 -61.02 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' HD3' ' A' ' 27' ' ' LYS . 58.3 tp -45.65 -46.47 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -77.68 -49.43 14.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 38' ' ' VAL . 63.3 t80 -49.88 -62.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.71 -52.77 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' OD2' ' C ' ' A' ' 36' ' ' ASP . 62.5 t0 -51.76 -60.53 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.74 -52.28 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.635 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 34' ' ' PHE . 48.8 t -47.81 -59.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -66.4 -43.32 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -60.72 -71.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.14 -42.82 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.99 80.2 34.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 -178.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.19 -19.92 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.81 2.34 . . . . 0.0 112.096 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -125.42 -2.92 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -140.78 68.77 30.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -77.18 2.42 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.789 2.326 . . . . 0.0 112.1 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.11 -51.72 66.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -121.63 -83.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 102.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -86.47 168.34 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.556 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -87.97 128.33 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -133.85 140.9 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -91.34 -33.99 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.75 -45.08 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.531 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 58' ' ' ARG . 78.8 mtp85 -71.01 -68.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.459 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 14.9 t90 -38.36 -27.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttp180 -74.86 -45.69 41.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 55' ' ' ARG . 99.6 mtt180 -63.85 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.0 -25.04 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -45.4 79.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASP . 23.8 t70 -70.2 -40.84 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.19 -67.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.56 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.673 HE21 HD21 ' A' ' 68' ' ' ASN . 62.1 tp60 -63.64 -62.06 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.4 t0 -53.8 -23.49 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -83.77 -43.43 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 69.3 t80 -62.54 -38.67 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.673 HD21 HE21 ' A' ' 64' ' ' GLN . 96.4 m-20 -72.99 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -50.95 -18.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 88.9 t80 -84.94 4.2 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.0 75.0 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.452 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.8 Cg_endo -79.65 164.83 23.11 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.733 2.289 . . . . 0.0 112.162 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -100.6 -3.02 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -127.8 33.41 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.599 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.3 p -44.57 102.22 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -82.15 141.97 11.93 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.858 2.372 . . . . 0.0 112.134 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.07 -19.3 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -47.36 -21.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.586 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.92 -61.58 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -46.51 -42.52 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -59.83 -43.76 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.2 m-85 -56.55 177.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.62 -65.95 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 78.6 m-20 -61.17 -41.5 96.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD23 ' CD ' ' A' ' 88' ' ' GLU . 45.4 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.65 -43.03 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.2 tmtt? -67.49 -60.44 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.592 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -58.43 -18.67 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.22 -55.51 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -52.56 -33.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.57 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -62.85 -40.94 99.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 95' ' ' VAL . 61.7 tttt -65.94 -15.35 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.25 -1.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.608 ' H ' ' C ' ' A' ' 93' ' ' LYS . 5.4 t -42.1 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.578 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER 165.63 60.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 178.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.9 Cg_endo -90.32 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.81 2.34 . . . . 0.0 112.112 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -61.59 -18.54 59.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.545 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.83 -44.35 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 74.8 mtp -69.86 -31.96 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.24 -53.7 40.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.06 -22.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.645 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -55.35 -38.29 68.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.382 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.48 -39.59 92.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -55.99 -38.25 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.099 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -65.3 -64.54 0.84 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.202 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -46.0 -48.45 16.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.24 -51.67 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.77 -41.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.329 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -66.01 -37.2 85.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.28 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -66.23 -42.48 88.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -61.92 -39.49 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.0 -42.37 99.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 21' ' ' THR . 88.7 mt-30 -55.32 -50.95 68.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.963 0.411 . . . . 0.0 110.633 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -56.72 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.043 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.85 -36.16 80.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.63 -16.54 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 17' ' ' GLN . 26.2 p -85.53 -3.81 58.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.289 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -93.4 1.54 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.664 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.27 0.25 89.57 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -62.64 147.81 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.402 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' VAL . 3.2 ptmt -53.53 -168.22 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.676 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.17 101.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HE2' HD13 ' A' ' 32' ' ' LEU . 39.6 tttp -125.91 144.63 50.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.365 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.49 136.39 45.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.58 -41.59 13.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.534 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 24.4 t0 -54.48 -55.8 25.32 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.748 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.23 -60.65 3.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD13 ' HE2' ' A' ' 27' ' ' LYS . 57.7 tp -48.33 -44.5 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -78.71 -49.37 13.21 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.071 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 84.5 t80 -51.66 -59.13 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.605 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -52.19 66.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.709 0.29 . . . . 0.0 110.855 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 98.4 m-20 -54.44 -59.57 4.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.076 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.53 -58.86 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.452 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 50.4 t -43.64 -59.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.71 -43.55 96.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.517 ' OD2' HG11 ' A' ' 59' ' ' VAL . 67.4 t0 -62.15 -70.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.96 -41.66 89.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.92 81.15 34.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 111.127 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -82.99 -20.8 5.05 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 122.81 2.34 . . . . 0.0 112.432 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -117.02 -6.8 11.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.986 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 10.7 p90 -148.16 76.71 10.23 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -80.47 4.3 6.98 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.257 2.638 . . . . 0.0 112.092 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.62 -50.81 67.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.559 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -101.29 -78.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.298 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.17 104.34 0.05 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -105.6 169.82 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pp -90.71 123.45 42.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -131.26 141.67 50.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mt -91.83 -37.28 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.4 -47.95 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 83.6 mtp180 -69.46 -66.88 0.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.644 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -41.6 -28.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -74.87 -45.48 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.712 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' ARG . 44.0 ttm180 -64.86 -54.84 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 -178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 ' OD2' ' A' ' 40' ' ' ASP . 62.0 t -73.27 -24.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -43.03 92.23 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.2 t70 -71.18 -38.86 72.12 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.344 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.3 m -50.46 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -63.37 -46.13 87.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -62.78 -61.82 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.5 t0 -52.7 -21.49 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -85.42 -41.4 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.98 -40.43 96.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.266 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -71.66 -57.2 4.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 25.9 m -52.95 -16.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 77.5 t80 -85.51 3.13 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.774 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.16 71.16 0.77 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.99 159.33 30.67 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 111.996 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -101.16 1.54 39.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -126.61 26.97 6.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.615 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.0 p -43.98 100.8 0.23 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.284 0.564 . . . . 0.0 110.125 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.6 150.95 19.34 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.962 2.441 . . . . 0.0 112.505 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.1 -5.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.438 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.0 mt -52.47 -24.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -61.59 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -43.79 -46.91 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -59.38 -45.17 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -55.06 163.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.423 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.637 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t90 79.18 -64.69 0.23 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.45 -42.99 99.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.628 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.67 -41.23 98.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -52.53 -47.21 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.524 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.5 tmtp? -67.1 -59.37 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.729 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -54.98 -24.86 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.765 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.71 -55.39 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.333 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -53.01 -35.82 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.481 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 84.9 m-20 -59.39 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.365 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.819 ' O ' HG23 ' A' ' 95' ' ' VAL . 66.0 mmtt -53.02 -33.92 53.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.493 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 95' ' ' VAL . 5.1 mmtt -61.33 -21.71 64.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -45.68 -13.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.953 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 92' ' ' LYS . 60.7 t -46.51 -68.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.736 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.537 ' ND2' HG12 ' A' ' 95' ' ' VAL . 1.9 p30 165.79 65.34 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.218 0.532 . . . . 0.0 110.592 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -92.06 -170.38 0.31 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 123.418 2.745 . . . . 0.0 112.307 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -67.61 -24.98 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.08 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -44.54 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.502 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mtp -71.38 -33.08 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.184 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -62.32 -51.23 68.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.148 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.18 -16.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.978 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.3 t . . . . . 0 N--CA 1.463 0.21 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.419 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.835 0.35 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -60.59 -40.16 90.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.56 -39.02 88.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.4 -39.05 89.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.36 -62.95 1.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -48.02 -44.64 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.98 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -44.56 -37.49 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.45 -37.43 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.9 -40.85 91.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.4 mm? -63.56 -40.21 96.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.58 -40.43 94.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.53 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -58.01 -45.8 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.62 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -62.34 -33.84 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.82 -26.83 64.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.562 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 17' ' ' GLN . 43.1 p -80.73 -8.3 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -87.69 2.2 51.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 0.46 87.09 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -63.22 146.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.6 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.2 ptmt -53.46 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.68 100.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.57 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 32' ' ' LEU . 82.3 tttt -121.78 148.34 44.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -74.09 132.1 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.65 -40.94 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.9 t70 -52.97 -56.91 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.33 -59.69 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' A' ' 27' ' ' LYS . 52.2 tp -47.19 -44.99 22.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -78.24 -50.58 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.9 t80 -49.8 -63.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.583 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.06 -52.55 65.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -52.91 -59.89 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.46 -53.86 48.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 52.5 t -45.84 -58.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -65.2 -42.77 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' HG11 ' A' ' 59' ' ' VAL . 54.7 t0 -62.13 -71.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.23 -43.92 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.99 81.62 27.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 -178.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.24 -19.78 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.808 2.338 . . . . 0.0 112.066 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.72 -1.11 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.71 68.54 19.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -77.27 1.83 8.32 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.859 2.372 . . . . 0.0 112.036 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.75 -52.89 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -121.79 -81.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.85 98.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 p -80.47 170.02 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.99 130.47 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 99.9 m-20 -133.46 142.79 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.5 mt -91.02 -33.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.31 -48.16 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' ARG . 84.4 mtt85 -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ARG . 59.6 t-105 -37.91 -34.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -74.29 -42.89 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' ARG . 41.4 ttm180 -65.69 -58.6 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD2' ' A' ' 40' ' ' ASP . 58.6 t -69.34 -23.44 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.36 -46.14 65.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -69.26 -37.55 77.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.8 m -52.99 -67.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.2 -44.79 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -64.25 -63.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ASP . 21.9 t0 -54.36 -20.0 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.597 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -86.46 -41.67 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 84.3 t80 -62.75 -38.9 92.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.73 -57.46 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.1 m -50.52 -17.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 89.5 t80 -84.15 2.82 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.96 67.87 1.99 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.444 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.5 Cg_endo -77.77 160.02 31.19 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.844 2.363 . . . . 0.0 112.115 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -100.89 1.93 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -127.07 29.85 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.64 102.57 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.12 143.99 13.07 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.842 2.361 . . . . 0.0 112.062 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 77' ' ' VAL . 14.9 p -78.81 -11.15 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.67 -22.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.536 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.33 -63.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.538 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -47.54 -42.51 23.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -58.84 -45.23 90.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.6 m-85 -54.62 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.632 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 44.7 t90 64.06 -63.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 82' ' ' TYR . 44.1 m-20 -61.45 -41.04 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 88' ' ' GLU . 84.8 mt -68.49 -34.18 75.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.0 mm -56.71 -42.21 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -66.69 -61.33 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.49 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.25 -18.01 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -72.07 -54.15 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.4 tt -55.13 -29.13 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -64.07 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.507 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -61.21 -42.18 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.592 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.7 tttt -62.6 -16.97 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.73 -2.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.1 t -43.9 -69.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.613 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t30 168.77 59.56 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.613 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.7 Cg_endo -90.84 -156.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.703 2.269 . . . . 0.0 112.155 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -62.24 -20.44 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.12 -44.7 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtp -67.42 -31.7 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.47 -50.82 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.03 -20.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.813 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.729 0.3 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -59.12 -41.42 88.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.73 -38.84 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.556 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.19 -36.99 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 178.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.71 -65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -46.0 -47.9 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.2 m-85 -61.4 -51.51 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.611 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -44.07 -36.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -68.06 -39.06 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.5 mt-30 -64.02 -42.49 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.38 -40.29 96.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.325 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.77 -44.64 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' THR . 84.8 mt-30 -56.68 -43.67 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.69 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.22 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.44 -21.68 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' GLN . 62.1 p -87.67 -2.12 58.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -92.93 7.89 42.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.515 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.0 -3.03 58.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -65.85 148.53 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.609 -179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 ptmt -52.49 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.37 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 80.9 tttt -122.53 154.48 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.27 133.33 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.528 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -42.44 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 53.5 t0 -52.23 -57.49 9.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.055 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.02 -60.55 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -178.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 58.0 tp -46.71 -45.49 19.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -78.52 -51.18 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.3 t80 -49.61 -61.94 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -52.21 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 61.2 t0 -52.41 -59.55 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -178.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -62.95 -55.4 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -178.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.8 t -42.92 -62.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 -179.187 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -63.33 -46.55 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.578 ' OD1' HG11 ' A' ' 59' ' ' VAL . 63.2 t0 -57.56 -71.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 50' ' ' THR . 87.3 mt -62.69 -43.16 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.99 80.02 25.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 -179.267 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.01 -20.03 6.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.818 2.345 . . . . 0.0 112.102 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -120.41 -10.56 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -139.46 73.55 35.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 -178.753 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.14 3.04 7.97 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.805 2.337 . . . . 0.0 112.162 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.61 -51.53 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -101.41 -77.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.99 114.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -126.93 161.78 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.49 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.572 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -135.39 141.2 45.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.71 -39.45 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -178.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.05 -47.74 70.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.7 mtt180 -68.03 -67.31 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 72.2 t-105 -38.48 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.602 179.11 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.9 ttt-85 -72.0 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 60.2 ttp180 -67.5 -56.5 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.509 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.578 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.3 t -68.08 -26.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.72 83.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.1 t70 -68.05 -38.82 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 0.0 110.569 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.4 m -51.56 -68.15 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.506 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.94 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.76 -62.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.7 t0 -51.34 -23.01 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.566 -179.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.13 -45.33 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.86 -43.13 90.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -71.11 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.565 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -51.43 -17.47 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 85.0 t80 -84.55 2.22 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.28 73.88 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -79.26 161.35 25.99 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.784 2.323 . . . . 0.0 112.138 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -102.62 -3.13 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -125.22 33.62 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.6 p -44.72 101.86 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -83.4 148.1 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.8 2.333 . . . . 0.0 112.151 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 p -76.26 -15.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.0 mt -45.93 -22.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -43.06 -44.05 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 p -61.52 -43.22 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CD2' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -58.08 163.97 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.68 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.734 ' N ' ' CD2' ' A' ' 82' ' ' TYR . 1.5 t90 79.47 -68.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.12 -41.25 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.3 mm -54.34 -44.71 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.551 -178.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.8 tttt -66.34 -61.02 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.582 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -55.73 -22.83 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.55 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.1 -57.25 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.516 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.55 -30.41 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -63.9 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.564 -179.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.3 mttm -58.83 -42.16 88.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 178.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 95' ' ' VAL . 81.7 tttt -60.22 -17.98 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -54.62 -6.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 98.4 t -41.0 -67.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -178.578 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.582 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 164.86 60.9 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 178.653 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.75 -160.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.86 2.373 . . . . 0.0 112.139 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -62.97 -21.12 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.49 -44.42 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.1 mmm -69.77 -29.55 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.75 -49.37 59.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.24 -17.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.732 0.301 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -61.15 -36.28 79.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.72 -41.95 74.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.429 ' CD2' HG23 ' A' ' 12' ' ' VAL . 11.8 t-160 -57.75 -36.98 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.5 -64.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -49.13 -46.3 44.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.287 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.3 m-85 -61.55 -53.79 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -43.52 -37.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.9 -37.25 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.6 mt-30 -65.83 -41.92 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.66 -40.22 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.49 -41.32 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.688 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.24 -47.67 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.57 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.98 -34.66 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.324 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -59.53 -22.57 61.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 17' ' ' GLN . 18.3 p -80.04 -5.44 55.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -91.85 -2.11 57.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.16 1.21 90.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -61.7 147.14 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.378 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.2 ptmt -53.29 -167.68 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.7 t -104.91 100.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.573 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CE ' HD22 ' A' ' 32' ' ' LEU . 84.6 tttt -120.61 149.24 42.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -76.68 132.25 39.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.83 -42.03 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.144 0.497 . . . . 0.0 110.975 179.32 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.9 t0 -53.1 -56.34 16.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.945 -178.167 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.05 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -178.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 27' ' ' LYS . 47.0 tp -46.46 -44.84 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -79.29 -49.19 12.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.398 -178.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.6 t80 -53.09 -56.4 16.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.728 -178.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.77 -54.54 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 99.3 m-20 -51.45 -56.65 12.1 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -178.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.83 -52.83 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 34' ' ' PHE . 29.0 t -49.3 -58.86 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -66.09 -44.8 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 65.8 t0 -60.29 -69.84 0.2 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.95 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 50' ' ' THR . 96.5 mt -62.02 -42.02 93.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.274 -179.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -122.97 80.07 50.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 -179.421 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -81.03 -19.01 8.52 Favored 'Trans proline' 0 C--N 1.303 -1.859 0 C-N-CA 122.836 2.357 . . . . 0.0 112.163 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -120.16 -2.31 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 65.4 m-85 -146.34 73.11 13.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.722 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.2 3.17 6.92 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.977 2.452 . . . . 0.0 112.348 -179.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -119.83 -79.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.31 92.28 0.05 OUTLIER Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 41' ' ' ILE . 6.5 p -84.16 163.73 19.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 110.525 179.626 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -78.4 126.74 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -129.24 141.73 51.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.41 -36.8 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.92 -48.96 69.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' ARG . 96.0 mtt-85 -69.74 -66.85 0.54 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 65.6 t-105 -39.77 -33.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.128 -179.114 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 76.6 ttt180 -75.26 -43.47 51.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.0 ttm-85 -64.58 -58.4 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.24 -22.38 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -43.65 70.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.2 t70 -71.37 -39.51 71.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.888 0.375 . . . . 0.0 110.686 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -51.36 -66.22 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.7 -46.75 86.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.421 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 56.7 tt0 -62.23 -63.09 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 -179.621 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' ASP . 31.1 t0 -53.99 -20.3 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -85.54 -41.92 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.78 -38.64 91.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -73.0 -54.71 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.2 m -50.41 -18.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.2 t80 -85.11 3.25 39.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.42 67.25 2.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.69 161.7 33.52 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.828 2.352 . . . . 0.0 112.324 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -102.31 3.5 38.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 179.095 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -126.2 26.1 6.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.732 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.2 p -46.43 103.24 0.34 Allowed Pre-proline 0 N--CA 1.455 -0.211 0 CA-C-O 121.3 0.572 . . . . 0.0 110.452 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -80.86 149.43 17.97 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.748 2.298 . . . . 0.0 112.51 -179.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.3 p -79.98 -13.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.477 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.405 ' O ' ' OG ' ' A' ' 81' ' ' SER . 60.8 mt -50.43 -23.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -178.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -58.29 -62.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -178.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -48.81 -44.4 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.532 -179.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 71.3 p -59.56 -39.64 84.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.653 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.6 OUTLIER -60.41 -176.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 54.2 t90 63.16 -63.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.9 m120 -60.94 -42.71 98.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.39 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD23 ' CD ' ' A' ' 88' ' ' GLU . 80.0 mt -66.53 -35.57 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.648 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.46 -41.49 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.28 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -68.14 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.62 -19.31 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.395 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 mt -69.93 -55.26 10.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 87' ' ' LYS . 10.4 tt -54.06 -34.34 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.496 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 94.5 m-20 -59.44 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -60.33 -41.47 93.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.478 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.558 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.0 tttt -64.59 -15.13 60.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -54.15 -4.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.9 t -43.69 -70.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.978 -177.488 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.621 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 t30 170.94 58.9 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.2 Cg_endo -91.0 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.85 0 C-N-CA 122.694 2.262 . . . . 0.0 112.0 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.91 -26.1 67.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -43.9 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.41 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.7 -34.26 75.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.524 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -51.95 60.5 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.6 -19.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.455 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.262 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.818 0.342 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -60.0 -44.1 94.75 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.364 0.602 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.106 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.36 -42.47 87.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 109.977 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -50.45 -58.94 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -51.31 -43.77 61.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.579 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.28 -51.19 70.36 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.356 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.0 -37.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.65 -43.97 65.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -65.61 -39.77 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.221 0.534 . . . . 0.0 110.822 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.58 -40.47 97.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.68 -37.12 85.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.135 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.25 -44.9 94.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.43 58.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 24' ' ' VAL . 47.8 mt -65.39 -27.07 68.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.564 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.95 -27.78 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.539 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.2 p -83.01 -4.77 58.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' VAL . 97.0 mtt-85 -89.62 7.23 37.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.559 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 66.29 -5.13 2.27 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 24' ' ' VAL . 9.2 p -63.36 61.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' GLY . 16.3 ptmt 35.19 -161.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.452 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -112.29 101.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.525 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -115.42 148.45 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.41 135.04 35.64 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.637 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.84 -32.24 19.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.327 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 31.9 t0 -52.6 -60.15 3.6 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -177.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.97 -61.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.574 0.546 . . . . 0.0 111.844 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.9 tp -44.76 -49.71 10.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -72.67 -46.58 53.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.6 m-85 -50.06 -65.16 0.61 Allowed 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.358 -178.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.46 -57.16 11.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.642 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.41 -61.41 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.683 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.81 -53.68 54.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.6 t -43.05 -53.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.263 0.554 . . . . 0.0 110.55 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -66.81 -35.57 80.37 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.081 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 26.0 t0 -65.39 -68.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.422 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -84.28 15.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 0.0 110.803 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' SG ' ' C ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -165.98 64.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.896 0.855 . . . . 0.0 111.283 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.88 -35.61 1.37 Allowed 'Trans proline' 0 C--N 1.299 -2.047 0 C-N-CA 122.108 1.872 . . . . 0.0 112.82 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.87 -2.55 8.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -141.15 72.91 26.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.949 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -76.1 4.95 4.86 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 123.674 2.916 . . . . 0.0 112.217 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -64.48 -49.85 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.397 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.96 -83.99 0.54 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.54 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.69 109.88 0.14 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -112.04 163.64 14.05 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.959 0.409 . . . . 0.0 110.59 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -84.05 125.57 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -139.0 140.93 38.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.241 179.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.8 mt -94.05 -40.74 11.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.59 -45.02 84.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 57' ' ' ARG . 94.8 mtt-85 -71.63 -65.86 0.7 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.057 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CD1' ' OD2' ' A' ' 40' ' ' ASP . 80.8 t90 -43.45 -25.44 0.15 Allowed 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 55' ' ' ARG . 42.3 ttm180 -75.34 -47.7 26.47 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -61.23 -50.38 73.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.703 -179.18 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -77.04 -21.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.56 55.18 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.0 t70 -71.4 -43.16 67.35 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 83.5 m -49.76 -64.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.68 -47.9 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -63.98 -61.13 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -178.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.0 t0 -52.91 -36.19 59.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.15 -43.1 75.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -66.1 -38.75 89.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.901 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.73 -61.11 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 27.8 m -44.99 -29.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.327 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.27 -51.83 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.09 69.57 0.33 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.0 Cg_endo -79.67 163.3 24.0 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.086 2.524 . . . . 0.0 112.482 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -100.37 1.61 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.498 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -126.57 26.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.93 100.54 0.23 Allowed Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 123.797 0.685 . . . . 0.0 110.133 -178.198 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -82.17 151.87 16.05 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.838 2.359 . . . . 0.0 112.486 -179.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.84 -17.88 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.59 HG22 ' CD1' ' A' ' 82' ' ' TYR . 83.6 mt -48.41 -22.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.436 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -53.29 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.362 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -46.99 -50.04 19.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -64.33 -21.93 66.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.661 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CD1' HG22 ' A' ' 78' ' ' ILE . 1.7 m-85 -87.03 85.95 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 160.81 -62.01 0.0 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 71.9 m-20 -60.84 -38.66 86.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.513 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 85' ' ' LEU . 90.4 mt -63.92 -37.83 88.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.609 179.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -53.83 -50.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -59.79 -53.45 57.79 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -60.21 -21.59 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 89' ' ' LEU . 12.3 tp -64.16 -58.63 6.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -178.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.44 -34.33 34.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -59.19 -65.7 0.63 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.455 -178.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.06 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.51 -11.88 8.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.257 0.551 . . . . 0.0 110.369 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -59.64 -6.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -43.7 -67.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.102 -177.43 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.541 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.7 p30 167.75 60.95 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 111.091 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -90.85 -157.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.157 2.571 . . . . 0.0 111.934 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.34 -25.92 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.958 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.996 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.88 -32.81 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.299 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.23 68.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.05 -19.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.073 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.224 -0.267 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.082 179.604 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -60.98 -41.49 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.96 -40.46 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.72 -44.69 86.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -53.66 -61.21 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -48.79 -44.98 39.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -61.31 -52.65 63.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.47 -34.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.52 -37.9 71.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.4 mt-30 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 HD21 ' A' ' 85' ' ' LEU . 4.4 mm? -63.9 -39.7 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.565 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.02 -40.78 98.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.89 -48.36 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 -179.133 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -64.45 -32.17 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.582 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -61.12 -17.85 54.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.3 p -86.31 -2.61 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -92.0 6.43 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.32 83.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.37 146.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.542 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.54 -164.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -103.32 97.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.687 ' CE ' HD11 ' A' ' 32' ' ' LEU . 68.1 tttt -116.4 167.23 11.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.607 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.8 m-85 -97.67 131.44 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.625 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.69 -35.69 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.1 t0 -51.29 -57.58 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.93 -62.95 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.687 HD11 ' CE ' ' A' ' 27' ' ' LYS . 29.7 mt -46.16 -47.59 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 -179.009 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.67 -48.37 22.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 77.3 t80 -51.88 -55.49 19.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 -178.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.85 -56.62 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -59.6 -63.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.079 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.78 -25.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -178.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.0 t -86.11 -63.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -177.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -63.85 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 61.1 t0 -54.59 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -178.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.29 -43.08 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.03 80.66 18.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 -178.384 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -79.39 -21.78 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.829 2.353 . . . . 0.0 112.104 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -125.09 0.24 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -142.13 67.05 21.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.81 -2.01 12.2 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.853 2.369 . . . . 0.0 112.138 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -63.25 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -105.23 -81.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.75 104.23 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 p -101.06 168.87 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -89.19 124.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -136.55 141.18 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.1 -34.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.3 -44.79 74.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.551 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 92.1 mtt-85 -69.52 -68.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD1' ' C ' ' A' ' 56' ' ' TRP . 8.3 t-105 -41.12 -27.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.572 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ARG . 73.8 ttt-85 -73.64 -47.29 41.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.78 -53.78 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.42 -24.37 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.49 92.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.4 t70 -72.92 -35.96 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.048 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.7 m -52.81 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -63.75 -42.54 97.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.515 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.58 -61.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.619 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.3 t0 -53.77 -21.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -86.37 -40.72 15.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 64.7 t80 -63.71 -39.37 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.89 -59.26 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -52.16 -16.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 74.3 t80 -87.09 5.35 38.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.44 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.0 Cg_endo -79.6 160.49 25.16 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.831 2.354 . . . . 0.0 112.132 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -99.26 -2.98 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.4 mmtt -125.82 31.3 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.708 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.5 p -43.26 100.4 0.22 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.1 Cg_endo -82.35 144.41 12.95 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.835 2.357 . . . . 0.0 112.139 -178.254 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 79' ' ' ALA . 13.3 p -74.53 -23.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.595 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.76 -20.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.62 -62.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -47.0 -43.36 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -57.14 -44.21 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -179.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 68.53 -72.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 -179.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -60.62 -39.31 87.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 15' ' ' LEU . 5.1 tp -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.399 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.54 -43.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tttt -67.35 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.36 -17.63 8.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.32 -53.67 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.5 tt -54.68 -32.21 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -62.6 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -57.72 -39.58 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.9 tttt -67.81 -16.16 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -55.46 -5.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 92' ' ' LYS . 61.3 t -40.77 -68.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 -178.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.78 ' ND2' HG12 ' A' ' 95' ' ' VAL . 1.3 p30 165.58 60.15 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 178.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.594 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.5 Cg_endo -89.45 -159.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.874 2.383 . . . . 0.0 112.094 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.9 -23.44 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 178.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.09 -43.73 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.3 ttp -67.45 -35.13 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.18 -20.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' ALA . 5.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.735 0.302 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -55.24 -44.13 75.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.572 178.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.03 -39.9 90.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 178.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 12' ' ' VAL . 82.6 t60 -59.32 -33.22 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.11 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.598 ' NH2' ' NE2' ' A' ' 14' ' ' GLN . 78.0 ttt-85 -53.38 -47.61 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -60.64 -53.48 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 8' ' ' HIS . 2.5 t -43.01 -35.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -72.31 -32.32 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 -178.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.598 ' NE2' ' NH2' ' A' ' 10' ' ' ARG . 86.0 mt-30 -70.57 -43.3 69.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.68 -41.03 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -62.53 -39.0 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.19 -42.33 99.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.552 -179.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.7 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.567 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.1 mt -59.35 -25.91 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -66.35 -30.46 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.6 p -75.44 -4.13 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -92.76 5.03 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.526 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -2.78 53.12 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 19' ' ' LEU . 3.2 p -66.41 151.21 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.578 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.1 ptmt -52.24 -167.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.77 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -124.06 148.97 46.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -71.26 134.26 46.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.14 11.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 29.6 t0 -47.31 -49.3 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.196 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.98 -60.95 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -178.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 45.2 tp -45.3 -47.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 15.0 mmtt -76.96 -50.09 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 38' ' ' VAL . 56.8 t80 -47.63 -64.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.4 t80 -57.49 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -178.166 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 m-20 -49.51 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -177.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 m-85 -64.52 -50.72 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 -177.488 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 34' ' ' PHE . 50.5 t -48.4 -60.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -178.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -65.99 -40.91 91.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -178.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 47.9 t0 -64.72 -70.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -177.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 50' ' ' THR . 95.7 mt -64.38 -42.75 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 -178.547 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.82 78.78 23.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -178.663 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -78.28 -22.77 9.4 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.827 2.351 . . . . 0.0 112.098 178.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -123.44 2.4 9.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -144.79 68.18 14.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.92 0.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.797 2.332 . . . . 0.0 112.109 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.1 -51.38 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -103.97 -78.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.83 115.12 0.04 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.5 p -117.25 166.4 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.535 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -86.43 127.14 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -134.48 140.63 46.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -95.74 -39.72 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.19 -48.7 67.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.4 mtp180 -67.9 -68.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 69.9 t90 -38.47 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.629 HH12 ' HE1' ' A' ' 83' ' ' TRP . 56.2 ttm-85 -74.37 -46.2 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttt85 -63.39 -53.9 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' OD1' ' A' ' 40' ' ' ASP . 67.8 t -72.37 -20.79 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.09 -47.88 35.3 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 65' ' ' ASP . 17.0 t70 -66.59 -40.18 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.596 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.8 m -52.09 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.1 -46.43 89.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.591 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.67 -63.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -178.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.0 t0 -49.66 -23.99 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 179.828 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -86.97 -35.37 18.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -67.61 -43.68 79.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' THR . 24.9 p-10 -72.41 -58.54 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' ASN . 44.7 m -48.01 -18.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 84.1 t80 -84.58 4.85 30.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 51.98 71.21 0.7 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.47 161.2 31.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.742 2.294 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -103.04 -1.9 28.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -121.2 29.91 7.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.3 p -44.41 101.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -178.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -83.14 144.49 11.85 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.743 2.295 . . . . 0.0 112.07 -178.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.71 -16.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.45 -20.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 -179.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.539 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -44.32 -43.8 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 179.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 m -59.37 -44.4 92.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -53.65 177.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.096 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.629 ' HE1' HH12 ' A' ' 57' ' ' ARG . 51.5 t90 64.97 -63.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.535 ' OD1' ' CZ3' ' A' ' 83' ' ' TRP . 41.2 m-20 -59.99 -43.16 95.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 85' ' ' LEU . 69.7 mt -66.35 -37.4 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -55.11 -44.79 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -62.03 -58.89 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.547 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.91 -19.22 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -67.08 -59.01 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 179.819 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -52.17 -35.75 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.028 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 78.3 m-20 -57.44 -64.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.09 -36.96 71.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' C ' ' H ' ' A' ' 95' ' ' VAL . 6.1 mttp -64.92 -12.06 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -48.42 -7.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 93' ' ' LYS . 15.5 t -52.89 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.555 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 5.9 t30 163.59 68.58 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.2 Cg_endo -90.24 -163.74 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.854 2.369 . . . . 0.0 112.067 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.5 -27.8 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.52 -44.74 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 36.5 ttp -67.67 -31.09 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.462 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.69 -49.19 60.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.53 -13.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.462 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.812 0.339 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -61.12 -40.55 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.408 HE22 ' HB ' ' A' ' 95' ' ' VAL . 51.2 tt0 -64.41 -38.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -57.65 -40.77 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -47.51 -50.11 24.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -59.31 -54.31 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.27 -38.77 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.95 -36.77 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -66.0 -41.22 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.551 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -63.87 -39.45 94.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.562 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -62.08 -42.74 99.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -55.01 -51.99 64.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.563 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.06 12.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.39 -35.14 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.05 -15.17 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.5 p -86.75 -2.63 58.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -95.91 1.55 53.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.32 2.66 90.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.9 p -64.05 144.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.7 ptmt -52.08 -165.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.17 103.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -124.62 153.27 42.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -77.49 131.19 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -41.8 12.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -54.14 -57.72 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.28 -62.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.49 -44.29 25.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -178.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -78.68 -52.63 8.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -178.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 91.2 t80 -52.43 -54.52 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' ' CE ' ' A' ' 39' ' ' LYS . 5.8 t80 -60.65 -57.98 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -178.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -51.32 -57.09 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -178.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.01 -56.62 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -178.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 34' ' ' PHE . 44.9 t -44.05 -51.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CE ' ' CZ ' ' A' ' 35' ' ' PHE . 38.0 mttm -66.49 -44.68 81.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' C ' ' A' ' 40' ' ' ASP . 60.8 t0 -62.57 -71.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -178.168 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.457 HG21 ' O ' ' A' ' 50' ' ' THR . 87.5 mt -58.23 -44.01 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 -178.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -122.03 81.01 43.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 -178.744 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -81.65 -22.72 5.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 0.0 112.174 179.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.29 -3.35 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -145.45 75.05 13.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.535 -179.302 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -79.83 3.25 7.73 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -61.53 -52.4 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -121.74 -82.67 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.2 103.58 0.03 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 178.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 41' ' ' ILE . 2.7 p -86.57 165.96 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.559 179.044 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.56 131.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 143.06 44.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 16.7 mt -94.03 -34.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.86 -47.67 68.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.514 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.6 mtp180 -68.76 -68.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 -179.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.5 t90 -38.89 -27.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.816 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -73.93 -46.22 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' ARG . 76.4 ttt-85 -64.97 -52.95 53.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.169 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.3 -24.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -43.46 78.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' ASP . 5.1 t70 -73.11 -40.37 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.567 -179.006 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.9 m -50.01 -66.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.139 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -64.6 -47.09 79.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 82' ' ' TYR . 52.8 tt0 -63.55 -61.82 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -178.138 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASP . 23.8 t0 -55.26 -26.89 42.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -80.91 -46.04 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -64.6 -40.1 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -76.33 -62.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 -178.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 88.9 m -43.69 -29.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.42 -55.12 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.73 68.65 0.26 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.532 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.3 Cg_endo -77.36 164.54 28.75 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.843 2.362 . . . . 0.0 112.094 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -101.41 -1.13 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -123.34 25.88 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.721 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.7 p -44.4 102.65 0.3 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.53 150.59 14.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.797 2.332 . . . . 0.0 112.075 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.55 -25.99 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.561 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.8 mt -45.16 -28.4 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.577 ' O ' ' CD1' ' A' ' 82' ' ' TYR . . . -48.86 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 82' ' ' TYR . 55.1 m-85 -46.35 -39.08 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 85' ' ' LEU . 4.7 p -65.15 2.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.18 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -90.51 171.31 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.549 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.816 ' HE1' HH12 ' A' ' 57' ' ' ARG . 90.9 t90 65.88 -54.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 82' ' ' TYR . 35.7 t30 -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.487 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 81' ' ' SER . 95.0 mt -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.5 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 -179.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -68.34 -60.72 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.6 pt-20 -56.14 -20.49 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.98 -54.95 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -54.81 -32.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.765 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -62.38 -65.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.0 mttt -59.52 -42.08 91.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.579 179.193 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.589 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.2 tttt -64.65 -15.9 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -52.36 -4.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG12 ' OD1' ' A' ' 96' ' ' ASN . 13.4 t -41.7 -68.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.684 ' OD1' HG12 ' A' ' 95' ' ' VAL . 1.5 p30 163.88 60.7 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 178.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.03 -156.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.833 2.355 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.0 -23.12 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.527 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.58 -44.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.79 -33.97 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.55 -51.13 59.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.57 -19.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 179.347 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.848 0.356 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -55.03 -45.54 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.06 -40.67 98.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.544 ' NE2' HG23 ' A' ' 12' ' ' VAL . 76.7 t60 -58.21 -40.88 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.261 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -51.95 -58.66 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -52.01 -43.1 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.6 m-85 -63.5 -51.95 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG23 ' NE2' ' A' ' 8' ' ' HIS . 2.1 t -43.79 -35.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.547 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -72.14 -34.42 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.1 mt-30 -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.605 -179.572 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.58 -41.96 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.429 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.93 -38.36 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.91 -45.7 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.008 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 -60.07 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.351 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 24' ' ' VAL . 63.9 mt -55.16 -25.55 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.367 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -66.23 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 p -70.22 -15.05 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH21 ' HA ' ' A' ' 19' ' ' LEU . 81.0 mtt85 -82.0 3.83 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.459 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 -0.47 63.25 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 19' ' ' LEU . 1.7 p -64.92 150.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.675 0.274 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.5 ptmt -51.34 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -107.09 101.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -122.6 160.55 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -84.17 135.14 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.27 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.5 t70 -52.41 -55.98 18.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 31' ' ' LEU . 34.9 tp -64.52 -61.04 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 -178.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -45.6 -46.63 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -78.21 -49.89 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.479 -178.171 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 38' ' ' VAL . 75.4 t80 -47.5 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 -179.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.446 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.7 t80 -57.43 -51.9 67.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -178.285 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.3 t0 -52.76 -60.59 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 -177.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.11 -57.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' PHE . 53.5 t -43.05 -59.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.14 -44.52 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -178.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 63.3 t0 -60.78 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.663 HG23 ' NE ' ' A' ' 55' ' ' ARG . 89.2 mt -63.39 -44.51 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 -179.017 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -119.86 80.88 25.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.297 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.3 -20.9 9.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.786 2.324 . . . . 0.0 112.118 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -124.69 -3.15 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.551 -178.511 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 47.6 m-85 -138.37 62.22 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.82 3.05 3.52 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.849 2.366 . . . . 0.0 112.086 -179.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.39 -48.76 76.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -115.96 -82.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.25 94.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -86.66 170.73 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' O ' ' OD2' ' A' ' 52' ' ' ASP . 1.6 pp -90.65 129.1 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 95.2 m-20 -138.03 141.43 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.7 mt -90.67 -39.44 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.03 -45.71 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NE ' HG23 ' A' ' 41' ' ' ILE . 31.8 ttp180 -69.28 -67.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.533 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 50.6 t-105 -38.56 -30.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' ARG . 59.1 ttp180 -72.04 -46.36 57.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.1 ttm-85 -62.43 -59.41 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG11 ' OD2' ' A' ' 40' ' ' ASP . 92.2 t -69.01 -21.92 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -48.63 32.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.7 t70 -69.4 -42.57 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.562 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.7 m -50.17 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.608 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.18 -44.69 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.76 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.5 t0 -49.75 -36.67 26.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.115 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -73.29 -44.58 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.649 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.93 -42.3 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.86 -63.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 30.4 m -43.91 -28.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.64 -55.58 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 126.02 70.66 0.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 59.0 Cg_endo -79.48 162.02 25.07 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.86 2.374 . . . . 0.0 112.17 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -101.78 -3.26 28.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.44 29.88 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.677 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -42.7 101.43 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -81.67 148.51 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.744 2.296 . . . . 0.0 112.154 -178.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.59 -14.51 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.42 ' O ' ' OG ' ' A' ' 81' ' ' SER . 82.4 mt -49.08 -21.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.513 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 82.2 p -64.99 -42.13 94.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.688 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -53.09 169.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.279 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.688 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 67.97 -59.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.486 -179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 64.8 m-20 -61.08 -43.26 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 85' ' ' LEU . 38.5 mt -66.9 -37.27 84.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -52.92 -45.32 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -66.56 -57.22 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -58.76 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.56 -58.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.4 tt -54.18 -31.69 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -60.74 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.4 mmtt -60.54 -40.82 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 95' ' ' VAL . 82.3 tttt -62.94 -14.53 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -57.91 -3.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 93' ' ' LYS . 11.0 t -45.41 -70.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -178.211 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.564 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 17.4 t30 169.44 61.17 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.52 -156.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.842 2.361 . . . . 0.0 112.132 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.49 -20.6 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.12 -44.88 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -70.62 -28.01 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.01 -46.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.29 -15.05 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 12.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -55.07 -45.73 75.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.117 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.508 ' NE2' HG11 ' A' ' 95' ' ' VAL . 47.8 tt0 -64.73 -42.45 95.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.48 179.339 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -53.14 -36.1 60.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.1 -63.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.372 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -52.09 -45.14 64.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.347 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.2 -51.09 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.535 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -46.53 -34.83 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -71.19 -36.9 72.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.745 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.59 -41.07 80.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.53 -39.65 94.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.344 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.0 -40.04 94.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.55 -56.41 14.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 93.7 mt -61.64 -23.75 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.457 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.16 -36.2 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -68.14 -10.26 52.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.21 -1.84 56.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.79 -1.27 16.58 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.813 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.0 p -64.36 64.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.0 ptmt 36.98 -165.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 0.0 110.498 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.7 t -117.84 108.77 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.237 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HZ1' HD13 ' A' ' 78' ' ' ILE . 12.2 ptmt -116.7 150.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.609 -179.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.753 ' O ' HD12 ' A' ' 32' ' ' LEU . 98.2 m-85 -80.8 133.66 35.66 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -89.01 -37.02 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.626 0.726 . . . . 0.0 111.734 178.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 6.5 t0 -55.44 -62.67 1.53 Allowed 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.797 -178.03 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.69 -59.93 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.379 . . . . 0.0 111.843 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 28' ' ' TYR . 98.0 mt -47.52 -43.66 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 29' ' ' ALA . 76.9 tttt -80.21 -47.57 14.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.924 0.393 . . . . 0.0 111.638 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 64.9 t80 -51.62 -54.23 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.527 -178.835 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.78 -51.14 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 98.1 m-20 -54.23 -59.51 4.57 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.21 -60.82 3.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.798 0.333 . . . . 0.0 111.461 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 44.0 t -43.64 -60.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.256 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.28 -46.83 81.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.552 -179.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 60.5 t0 -57.07 -69.56 0.15 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -178.592 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG21 ' O ' ' A' ' 50' ' ' THR . 97.5 mt -64.2 -43.17 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.697 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.68 79.23 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.102 0.477 . . . . 0.0 111.112 -179.465 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.08 -18.61 9.95 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.788 2.326 . . . . 0.0 112.262 179.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -122.19 -7.33 8.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.257 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 3.1 m-85 -138.36 67.77 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.82 4.06 4.44 Favored 'Trans proline' 0 C--N 1.3 -1.975 0 C-N-CA 122.942 2.428 . . . . 0.0 112.236 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.62 -49.89 74.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -121.58 -78.78 0.6 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.3 100.49 0.02 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 41' ' ' ILE . 3.7 p -87.44 168.93 12.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 0.0 110.192 179.636 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.25 125.51 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -129.95 137.63 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.464 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.68 -38.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.24 -46.61 79.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 65.9 mmt-85 -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.42 -179.592 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 63.0 t-105 -41.06 -36.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -72.17 -44.6 62.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.635 178.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 88.2 mtt-85 -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.467 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.523 HG11 ' OD2' ' A' ' 40' ' ' ASP . 67.9 t -72.0 -22.82 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.33 -46.85 55.13 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 33.9 t70 -69.35 -39.25 78.24 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.082 0.468 . . . . 0.0 110.429 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.7 m -50.88 -66.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.619 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -63.12 -47.12 84.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.88 -62.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -50.61 -24.29 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.54 -39.29 20.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.533 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 76.8 t80 -64.68 -41.3 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' N ' ' A' ' 70' ' ' PHE . 10.8 m120 -70.77 -60.29 2.33 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.7 m -47.42 -16.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.071 0.462 . . . . 0.0 110.234 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 90.2 t80 -87.7 4.13 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 54.72 68.44 1.68 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 63.2 Cg_endo -78.92 160.01 27.36 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.008 2.472 . . . . 0.0 112.138 179.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -101.79 2.13 38.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.61 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -124.78 26.3 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.9 p -44.16 99.97 0.22 Allowed Pre-proline 0 CA--C 1.533 0.32 0 O-C-N 123.61 0.569 . . . . 0.0 109.982 -178.376 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.86 144.26 13.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.864 2.376 . . . . 0.0 112.695 -178.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.67 -7.12 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 67.5 mt -53.03 -20.26 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -58.27 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 0.0 110.674 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -43.94 -47.91 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 46.1 p -63.87 -42.78 97.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.5 m-85 -53.7 177.2 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.638 -179.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.525 ' O ' ' CE3' ' A' ' 83' ' ' TRP . 0.8 OUTLIER 60.97 -67.25 0.05 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.399 0.619 . . . . 0.0 110.652 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 82' ' ' TYR . 53.5 m-20 -51.92 -41.01 61.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.42 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.54 -33.7 76.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -56.8 -41.75 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.946 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tmtt? -65.26 -56.42 12.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -59.45 -21.45 60.07 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.179 0.514 . . . . 0.0 110.499 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.4 mt -71.98 -53.24 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.978 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.1 tt -51.9 -32.64 14.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 121.553 0.692 . . . . 0.0 110.181 -179.787 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -60.05 -59.32 5.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.812 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -58.16 -36.65 73.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.297 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 95' ' ' VAL . 7.3 mmtt -54.64 -23.16 15.97 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.248 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -45.56 -12.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.0 111.357 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 93' ' ' LYS . 4.3 t -52.59 -65.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.482 ' N ' HG12 ' A' ' 95' ' ' VAL . 1.1 m120 163.87 65.12 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 110.268 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 20.1 Cg_endo -92.05 -166.2 0.16 Allowed 'Trans proline' 0 C--N 1.294 -2.307 0 C-N-CA 123.107 2.538 . . . . 0.0 112.663 -178.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -68.01 -25.08 65.22 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.065 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.48 -42.69 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.343 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mmm -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -45.63 68.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.579 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.47 -16.35 0.57 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.461 0.106 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.183 179.696 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -59.09 -41.63 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.34 -36.72 83.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -60.28 -37.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.69 -63.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -48.85 -47.71 42.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLN . 6.2 m-85 -61.03 -53.01 62.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -44.11 -37.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -69.57 -37.57 77.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 mm-40 -66.16 -42.04 89.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.26 -41.15 98.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -59.74 -46.4 89.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -57.72 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -31.12 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -61.32 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.607 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 17' ' ' GLN . 29.9 p -75.71 -5.25 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 -179.222 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 70.5 mtm180 -92.55 -1.91 56.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.35 90.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.7 p -63.26 147.59 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.607 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.09 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.34 100.28 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -120.4 153.26 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.94 133.61 36.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -89.22 -42.12 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 27.8 t0 -52.05 -55.63 19.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.481 -178.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.19 -62.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 -178.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -45.97 -45.48 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -78.01 -50.07 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.588 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.3 t80 -48.59 -64.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 -179.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -57.53 -51.25 70.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -178.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -53.44 -60.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -178.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -60.64 -58.8 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 34' ' ' PHE . 43.5 t -42.32 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -178.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -64.2 -41.02 97.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 -178.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -63.64 -71.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.417 HG21 ' O ' ' A' ' 50' ' ' THR . 97.3 mt -62.72 -42.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.28 81.09 29.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.609 -179.037 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -80.31 -21.39 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.866 2.377 . . . . 0.0 112.091 179.05 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -125.06 4.03 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -144.28 69.55 15.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.64 -0.21 10.47 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.856 2.37 . . . . 0.0 112.075 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.62 -54.0 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -103.65 -79.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.607 179.18 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.77 115.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.9 p -116.75 161.97 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.331 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.7 131.62 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -135.73 142.13 44.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.548 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.25 -39.56 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.9 -47.73 70.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' ARG . 94.4 mtt-85 -69.97 -68.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 46.5 t90 -38.01 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.557 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.749 HH22 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -75.06 -45.09 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.741 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' ARG . 94.0 mtt180 -64.61 -56.23 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.292 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.0 t -71.93 -22.58 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -45.86 59.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 65' ' ' ASP . 24.4 t70 -68.21 -37.76 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.548 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.6 m -53.67 -67.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.5 -45.08 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -64.18 -61.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.7 t0 -55.61 -20.41 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.98 -42.77 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 74.8 t80 -62.72 -39.55 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -71.47 -56.08 6.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.586 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 m -52.09 -21.8 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 82.9 t80 -80.19 2.09 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.07 73.56 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.9 Cg_endo -79.87 158.47 24.36 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.885 2.39 . . . . 0.0 112.106 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -100.03 0.89 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -127.19 31.23 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.7 p -45.28 102.97 0.32 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.357 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.95 145.4 14.06 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.77 2.313 . . . . 0.0 112.117 -178.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -76.08 -19.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.84 -20.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -46.43 -40.94 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 68.8 m -61.95 -42.93 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.2 m-85 -55.35 178.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.647 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HE1' HH22 ' A' ' 57' ' ' ARG . 68.5 t90 65.63 -62.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.622 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 82' ' ' TYR . 6.6 m120 -61.32 -42.69 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD23 ' CD ' ' A' ' 88' ' ' GLU . 86.6 mt -67.57 -35.55 79.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.37 -44.03 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -67.77 -59.81 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.9 pt-20 -58.75 -19.32 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.089 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.89 -57.59 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -51.77 -36.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.439 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 93.1 m-20 -57.41 -62.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -26.05 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' A' ' 95' ' ' VAL . 4.0 mttp -80.03 -13.44 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -46.77 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.535 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.7 t -47.45 -68.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.515 -179.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.498 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 9.3 t30 168.01 67.23 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 179.392 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 31.9 Cg_endo -90.45 -166.96 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.827 2.351 . . . . 0.0 112.107 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.78 -26.57 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.8 t -56.65 -45.02 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtp -70.43 -30.52 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -65.74 -51.95 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.28 -13.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.7 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.798 0.332 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -59.98 -38.58 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -53.86 -40.41 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -63.99 -63.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -48.24 -48.16 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.2 m-85 -62.53 -55.84 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.561 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -40.94 -39.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -69.32 -36.61 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 -179.196 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.3 mt-30 -65.65 -43.89 88.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 -178.802 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -61.59 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 -179.407 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.68 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.314 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.637 ' O ' HG23 ' A' ' 21' ' ' THR . 95.4 mt-30 -57.55 -51.03 71.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.63 -57.32 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -178.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.27 -32.47 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -62.29 -21.47 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 17' ' ' GLN . 34.4 p -82.5 -2.7 54.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.105 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.82 3.48 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.16 84.62 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -60.89 147.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.3 ptmt -54.49 -168.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.97 97.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -118.63 149.95 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -77.27 133.08 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.4 13.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -52.6 -56.61 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.85 -62.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.589 -178.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.8 tp -44.91 -45.46 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 -179.162 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -79.09 -48.77 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -178.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.1 t80 -49.56 -63.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.29 -53.78 54.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -51.6 -60.66 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -178.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -61.08 -56.75 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.0 t -44.75 -61.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -178.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -63.45 -42.43 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -177.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -62.27 -70.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 -178.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' THR . 95.5 mt -63.17 -43.25 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.31 80.87 37.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -178.912 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -80.62 -20.39 8.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.345 . . . . 0.0 112.112 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -123.15 -0.35 8.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 66.1 m-85 -144.02 65.73 14.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.205 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.16 4.01 5.19 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.812 2.341 . . . . 0.0 112.052 -179.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.39 -48.43 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -109.14 -78.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 179.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.5 p -102.63 161.83 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.54 178.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -74.58 129.69 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -131.45 139.96 49.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 71.4 mt -94.13 -40.42 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.43 -47.42 73.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.9 mtt180 -72.3 -68.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -178.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 27.7 t90 -37.66 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.746 HH12 ' HE1' ' A' ' 83' ' ' TRP . 61.7 ttm-85 -75.15 -44.6 45.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.5 ttm180 -63.72 -58.66 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -69.79 -24.1 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.76 62.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -178.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' ASP . 8.0 t70 -70.27 -38.25 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -51.67 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -64.93 -43.99 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 -178.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -65.5 -62.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -178.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 61' ' ' ASP . 22.9 t70 -54.5 -32.26 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.611 -178.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -76.48 -42.85 42.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -67.2 -37.81 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.04 -61.8 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 82.7 m -42.97 -31.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -178.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.99 -53.87 43.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.466 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.24 71.88 0.3 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.134 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 57.9 Cg_endo -80.61 165.89 20.08 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.764 2.309 . . . . 0.0 112.126 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -101.95 1.62 36.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -126.17 29.85 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.8 p -43.59 102.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.514 -179.451 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -81.67 144.16 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.8 2.333 . . . . 0.0 112.096 -178.362 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.2 -23.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.62 -24.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.15 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -46.94 -41.69 16.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.427 ' OG ' HD11 ' A' ' 85' ' ' LEU . 5.3 t -61.28 -44.87 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -54.26 179.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 -179.651 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.746 ' HE1' HH12 ' A' ' 57' ' ' ARG . 45.8 t90 64.16 -61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 82' ' ' TYR . 29.6 m-20 -61.48 -42.71 99.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.532 HD23 ' CD ' ' A' ' 88' ' ' GLU . 82.5 mt -66.96 -34.42 77.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.628 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.94 -43.87 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.6 tttt -65.86 -61.51 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -57.73 -20.58 35.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.15 -58.31 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.2 tt -52.86 -34.4 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 86.3 m-20 -58.38 -65.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.26 -42.72 99.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 95' ' ' VAL . 82.2 tttt -63.94 -13.76 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -58.26 -2.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.878 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -44.58 -62.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -177.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.878 ' H ' HG13 ' A' ' 95' ' ' VAL . 1.2 m120 164.33 60.12 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.9 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.791 2.327 . . . . 0.0 112.111 179.065 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.17 -26.34 68.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.026 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.97 -44.91 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.443 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mmm -70.01 -28.77 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.92 -50.95 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.51 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 -13.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.1 mt-30 -48.42 -40.93 27.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.176 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 99.1 mt-10 -50.1 -6.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.006 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.6 tt -59.01 -41.82 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.365 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -55.3 -41.07 71.87 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.118 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -65.01 -36.75 85.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.36 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.645 ' NE2' ' H82' ' A' ' 201' ' ' MYR . 18.2 m170 -64.85 -34.71 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.249 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -58.93 -59.77 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.149 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -53.7 -43.46 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.37 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.7 m-85 -61.89 -49.97 74.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.732 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.72 -37.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.36 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.76 -36.31 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.6 mt-30 -67.95 -41.01 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.339 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.26 -40.83 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.507 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -62.5 -39.03 92.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.294 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -62.69 -44.1 97.1 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -53.41 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HG12 ' A' ' 24' ' ' VAL . 67.2 mt -61.52 -26.32 67.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 110.205 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -63.94 -34.31 77.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.496 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -73.7 -13.58 61.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -79.86 1.49 26.82 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 2.5 73.12 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -68.82 149.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.559 0.218 . . . . 0.0 110.468 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.2 ptmt -51.67 -165.6 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.744 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.4 t -111.39 105.69 19.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 111.453 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HD3' HD22 ' A' ' 32' ' ' LEU . 14.9 ptpt -132.18 164.98 25.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.69 134.31 35.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 119.89 -0.724 . . . . 0.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 -46.89 10.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.536 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 39.1 t0 -54.17 -51.58 63.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.082 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.48 -58.94 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 123.517 0.511 . . . . 0.0 111.525 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD22 ' HD3' ' A' ' 27' ' ' LYS . 53.4 tp -49.08 -42.53 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.976 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' NZ ' H132 ' A' ' 201' ' ' MYR . 67.8 tttt -76.03 -48.77 19.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.0 m-85 -51.86 -64.9 0.67 Allowed 'General case' 0 C--O 1.215 -0.763 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.508 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -47.87 -57.4 5.71 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.332 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -55.57 -58.12 9.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.785 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.629 ' CZ ' ' NE1' ' A' ' 56' ' ' TRP . 7.0 m-85 -66.12 -54.92 19.65 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 86.0 t -43.64 -44.7 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.935 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -79.84 -21.21 44.44 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.299 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' PHE . 8.8 t70 -74.44 -66.73 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.035 -178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 41' ' ' ILE . 33.6 pt -84.86 -15.98 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.615 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 45' ' ' PHE . 2.2 m -130.35 63.13 68.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.1 -23.72 15.59 Favored 'Trans proline' 0 C--N 1.301 -1.934 0 C-N-CA 122.717 2.278 . . . . 0.0 112.906 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 44' ' ' TRP . 15.8 t90 -122.04 -3.67 9.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.216 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 2.7 p90 -145.58 75.31 13.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 121.001 0.429 . . . . 0.0 111.425 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.4 5.99 5.42 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.981 3.121 . . . . 0.0 111.665 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -62.0 -51.78 66.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.406 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -115.8 -78.44 0.58 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.84 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . 63.13 88.46 0.04 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 p -82.68 163.42 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG2' H101 ' A' ' 201' ' ' MYR . 2.0 pp -77.18 125.42 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.079 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 63.2 m-20 -132.17 139.33 48.34 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.698 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 86' ' ' ILE . 46.1 mt -94.19 -40.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.294 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -46.72 80.16 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.967 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' NH1' ' OD1' ' A' ' 52' ' ' ASP . 50.6 mtm180 -72.26 -63.89 1.06 Allowed 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.546 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.629 ' NE1' ' CZ ' ' A' ' 37' ' ' PHE . 44.8 t90 -42.84 -27.85 0.21 Allowed 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 55' ' ' ARG . 59.3 ttp180 -72.83 -46.19 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 81.4 mtp180 -63.52 -52.29 61.82 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.116 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.1 t -73.31 -23.87 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.282 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.45 -50.5 37.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.0 t70 -64.97 -40.87 95.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.04 -66.18 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.91 -45.62 92.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.98 -61.84 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.955 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -51.76 -24.75 6.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.068 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -83.36 -43.55 15.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.66 -44.14 97.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.39 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -69.05 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.979 0.419 . . . . 0.0 110.56 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.9 m -51.32 -17.21 0.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.4 t80 -84.85 5.41 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.12 72.04 0.61 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.55 159.87 38.91 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.742 2.295 . . . . 0.0 112.261 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -100.74 -9.0 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -121.97 39.04 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.182 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -46.64 102.61 0.31 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.255 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -82.24 143.23 12.48 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.654 2.236 . . . . 0.0 112.8 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 -22.19 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.691 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.4 mt -47.75 -21.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.363 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.66 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 110.472 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -47.29 -42.04 20.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.672 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.8 m -59.38 -42.33 91.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.71 179.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.169 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 53.1 t90 68.31 -65.58 0.26 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.806 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -60.51 -40.7 92.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.224 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.6 HD23 ' CD ' ' A' ' 88' ' ' GLU . 24.6 mt -66.05 -33.43 75.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.884 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.408 HG22 HG12 ' A' ' 53' ' ' ILE . 25.6 mm -60.12 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.29 -58.37 6.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.6 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -59.37 -21.03 59.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.6 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.77 -54.53 15.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 tt -53.17 -37.31 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.315 0.578 . . . . 0.0 109.551 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -58.48 -62.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.031 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.4 -10.41 11.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.439 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 1.039 ' HZ1' H102 ' A' ' 201' ' ' MYR . 8.9 mttp -86.42 -14.85 42.1 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.784 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -47.46 -9.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -51.68 -64.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.332 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 1.5 t-20 162.9 69.57 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.637 0 CA-C-O 121.351 0.596 . . . . 0.0 110.554 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -92.23 -168.0 0.21 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 123.186 2.59 . . . . 0.0 111.664 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.84 -24.74 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.9 t -58.84 -44.77 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 84.2 mtp -69.29 -30.05 68.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.21 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.98 -47.65 67.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.422 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -15.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.482 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.408 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.0 t -93.54 -51.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.455 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.98 -24.87 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.082 0.468 . . . . 0.0 110.153 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -85.49 -58.73 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.4 m -61.65 -40.2 94.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.623 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -120.22 72.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.923 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -60.43 139.48 57.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.393 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.6 tt -66.39 -25.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.807 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.84 -31.36 70.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.522 ' N ' ' OD2' ' A' ' 117' ' ' ASP . 51.3 pttt -44.22 133.4 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.279 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.63 -161.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.51 -40.44 94.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.238 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.4 m -164.03 23.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.671 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -110.53 -121.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.1 p -136.91 171.44 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.522 ' OD2' ' N ' ' A' ' 111' ' ' LYS . 35.2 m-20 -67.99 -28.14 67.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.202 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.29 -42.06 99.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 122' ' ' HIS . 95.8 mt-10 54.63 94.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.904 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -66.04 -36.83 84.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.6 m-70 -104.38 150.85 24.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.434 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -137.5 106.15 5.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.616 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -113.26 144.58 42.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.879 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.648 179.688 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 1.039 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' N ' ' H41' ' A' ' 201' ' ' MYR . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' A' ' 5' ' ' LEU . 98.9 mm-40 -48.95 -37.32 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.709 0.29 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 98' ' ' GLN . 96.7 mt-10 -49.67 -8.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.655 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.8 tt -52.8 -38.8 61.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -60.78 -37.66 82.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 95' ' ' VAL . 54.3 tt0 -67.22 -38.77 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.92 -37.73 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.07 -62.55 1.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -51.33 -43.44 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.041 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.8 m-85 -62.74 -52.88 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.657 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.3 t -44.46 -37.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.318 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.24 -38.45 81.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' TYR . 85.4 mm-40 -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.066 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.2 mm? -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -61.94 -42.31 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.659 ' O ' HG23 ' A' ' 21' ' ' THR . 87.7 mt-30 -58.04 -48.23 80.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.84 -54.76 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 24' ' ' VAL . 55.2 mt -64.38 -32.98 74.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.024 0.44 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.3 -23.22 65.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 17' ' ' GLN . 39.2 p -87.37 -3.75 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.679 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -90.05 9.26 28.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.657 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.65 -5.88 35.36 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.4 p -65.52 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.543 0.211 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' O ' ' O ' ' A' ' 24' ' ' VAL . 10.9 ptmt -51.82 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.643 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.26 107.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -130.66 149.13 52.46 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.156 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -69.76 134.27 48.41 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.185 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.1 -45.21 12.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.8 t0 -48.83 -50.44 34.47 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.236 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.36 -59.88 4.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.474 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -47.56 -46.94 28.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.617 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 17.4 mmtt -76.55 -47.48 22.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.641 ' O ' HG23 ' A' ' 38' ' ' VAL . 71.0 t80 -51.64 -63.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.678 -178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 30.2 t80 -58.84 -50.12 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.617 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -52.04 -59.43 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.617 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 2.1 m-85 -65.5 -49.39 69.18 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.948 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.6 t -49.75 -58.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -66.84 -40.46 87.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.524 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.11 -67.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.694 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.37 -43.65 97.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.27 77.61 13.27 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 121.364 0.602 . . . . 0.0 111.093 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.71 -22.61 11.79 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.309 2.006 . . . . 0.0 112.286 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' C ' ' CD1' ' A' ' 45' ' ' PHE . 94.1 m95 -122.79 1.98 9.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.293 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TRP . 74.0 m-85 -144.67 66.22 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.44 1.16 9.06 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.054 2.502 . . . . 0.0 111.978 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.12 -50.93 66.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -99.28 -78.16 0.51 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.428 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.27 116.75 0.05 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -125.86 156.38 39.7 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' CG2' H101 ' A' ' 201' ' ' MYR . 1.9 pp -76.25 128.34 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.303 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 88.6 m-20 -136.2 144.71 45.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.426 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.8 mt -97.71 -40.27 9.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' HB3' HH22 ' A' ' 58' ' ' ARG . 64.9 mmtt -66.21 -44.85 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.238 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.1 mtt180 -71.43 -65.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.029 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -44.61 -21.93 0.07 Allowed 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.201 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -75.69 -48.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.843 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 55' ' ' ARG . 94.0 mtm-85 -63.62 -55.02 26.86 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.063 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.15 -22.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.83 -45.9 62.6 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 32.6 t70 -70.44 -39.42 74.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -52.48 -65.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.839 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -63.44 -46.7 85.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.81 -59.63 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.17 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.3 t0 -56.13 -30.42 62.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.196 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -74.49 -45.03 48.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -65.67 -39.35 91.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -78.59 -60.58 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.229 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 33.6 m -46.73 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.415 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -65.28 -53.15 48.44 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.581 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.49 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.26 70.24 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.49 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.3 Cg_endo -81.57 160.33 19.41 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 123.105 2.536 . . . . 0.0 112.304 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -102.85 2.74 35.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -124.66 23.31 8.07 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.222 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -44.41 100.92 0.24 Allowed Pre-proline 0 CA--C 1.532 0.256 0 O-C-N 123.516 0.51 . . . . 0.0 110.081 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.91 154.04 19.65 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.853 2.369 . . . . 0.0 112.7 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.6 p -76.85 -25.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.557 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.2 mt -45.66 -24.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.35 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -55.43 -64.58 0.8 Allowed 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.565 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -43.37 -34.51 1.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.861 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -37.39 85.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -49.16 162.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.501 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 7.2 t90 68.83 -60.39 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.026 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -58.47 -45.88 87.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.748 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -38.35 86.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.057 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.5 mm -58.13 -43.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.25 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 90' ' ' ILE . 8.2 tttm -65.87 -59.67 3.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.267 0.556 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -56.85 -22.46 36.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.47 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.6 HD13 H141 ' A' ' 201' ' ' MYR . 8.6 mt -69.8 -55.3 10.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.029 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.2 tt -51.9 -32.68 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.07 -63.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.452 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.97 -10.49 9.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.477 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 1.07 ' HZ1' H102 ' A' ' 201' ' ' MYR . 2.7 mttp -89.7 -15.91 31.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.759 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -46.11 -11.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 93' ' ' LYS . 24.1 t -47.67 -64.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER 162.02 67.67 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.49 0 CA-C-O 121.456 0.646 . . . . 0.0 110.61 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.12 -168.62 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.026 2.484 . . . . 0.0 112.25 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.619 ' OE1' ' H22' ' A' ' 201' ' ' MYR . 68.3 tp60 -61.78 -30.89 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.203 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 51' ' ' ILE . 72.8 t -50.74 -42.42 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.941 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.435 ' SD ' ' ND2' ' A' ' 96' ' ' ASN . 62.0 ttp -65.96 -35.31 80.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.526 ' HB1' HE21 ' A' ' 105' ' ' GLN . . . -67.48 -51.18 54.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.606 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.6 -17.23 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.157 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.6 t -94.08 -51.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.493 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.66 -24.35 67.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.073 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' A' ' 101' ' ' ALA . 77.1 mt-30 -89.9 -60.16 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.0 m -60.32 -43.05 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -128.2 84.09 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.73 159.21 6.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.612 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 pt -99.79 -1.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 111' ' ' LYS . 96.3 mt -93.2 -7.65 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 110' ' ' LEU . 61.9 pttt -54.02 -164.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.727 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.4 m -102.78 161.62 13.59 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 109.832 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.513 ' N ' ' OD2' ' A' ' 117' ' ' ASP . 76.9 m-20 57.15 34.07 24.29 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.227 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.465 ' H ' ' CG ' ' A' ' 117' ' ' ASP . 25.1 p -127.11 -170.18 2.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.05 -39.48 89.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.422 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.2 p -128.03 100.38 5.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.713 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.513 ' OD2' ' N ' ' A' ' 113' ' ' ASN . 76.8 m-20 -105.68 9.13 33.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.29 -41.25 98.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 110' ' ' LEU . 99.2 mt-10 48.14 -166.34 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.39 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -132.28 135.44 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.481 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -118.89 148.59 42.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.693 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -106.47 126.14 51.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.426 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -139.51 94.28 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.186 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -109.7 123.36 49.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 59.7 t60 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.641 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 1.07 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 5' ' ' LEU . 97.3 mm-40 -62.97 -24.0 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 56.9 mp0 -49.45 -11.31 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.601 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -53.87 -34.43 59.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.324 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -58.87 -41.56 87.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.686 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.633 ' NE2' HG21 ' A' ' 95' ' ' VAL . 62.4 tt0 -63.43 -40.02 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.197 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.518 ' CD2' H111 ' A' ' 201' ' ' MYR . 11.8 t-160 -58.7 -39.63 81.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -59.35 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.051 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -51.33 -44.59 62.02 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.295 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.6 m-85 -59.76 -52.57 64.91 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.464 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.88 -36.77 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -68.44 -38.48 81.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.449 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.2 mt-30 -64.31 -41.69 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.84 -40.87 98.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -62.06 -40.48 95.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 21' ' ' THR . 96.0 mt-30 -58.4 -47.46 83.8 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.257 0.551 . . . . 0.0 110.412 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.3 -56.56 19.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.78 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.96 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -59.89 -21.4 60.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.7 p -78.83 -4.54 50.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -92.02 -1.43 57.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.36 89.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -61.97 145.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.679 0.276 . . . . 0.0 110.45 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.4 ptmt -53.57 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.95 99.99 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -122.53 154.72 37.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.92 133.59 35.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.208 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.21 -45.7 10.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.716 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.1 t70 -54.22 -53.53 52.36 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.83 -59.68 3.63 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.392 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.4 tp -48.47 -41.81 30.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.352 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.571 ' NZ ' H132 ' A' ' 201' ' ' MYR . 71.2 tttt -81.76 -48.16 11.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.385 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 79.3 t80 -52.65 -57.16 10.95 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.605 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -62.09 -51.95 65.88 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.624 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -53.52 -56.19 19.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 0.0 111.103 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.19 -54.38 34.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.692 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.8 t -45.21 -56.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.833 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -63.37 -41.3 98.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 53.5 t0 -66.69 -67.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.276 -178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.62 -42.69 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -117.86 77.69 11.96 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.145 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.82 -22.3 7.71 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.633 2.222 . . . . 0.0 112.195 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 5.4 m-90 -121.85 0.3 9.73 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 43.1 m-85 -141.49 66.37 23.09 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.781 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.57 -2.19 12.37 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 C-N-CA 122.896 2.397 . . . . 0.0 112.144 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.82 -48.8 75.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -98.65 -76.13 0.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.81 109.99 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 p -124.08 159.18 30.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.529 ' CG2' H143 ' A' ' 201' ' ' MYR . 2.3 pp -76.45 130.86 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.296 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -135.18 143.86 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.455 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.5 mt -98.06 -40.26 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -66.08 -44.32 84.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' C ' ' N ' ' A' ' 57' ' ' ARG . 95.5 mtt-85 -72.82 -65.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.486 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 70.0 t-105 -43.62 -22.82 0.05 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 55' ' ' ARG . 56.2 ttp180 -76.84 -47.9 20.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -63.16 -55.49 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.461 . . . . 0.0 111.24 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -73.37 -22.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.68 -45.39 66.23 Favored Glycine 0 N--CA 1.46 0.288 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 65' ' ' ASP . 13.8 t70 -68.54 -39.82 80.97 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.66 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.6 m -53.17 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.59 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.86 -46.05 91.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -62.96 -60.37 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.044 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 61' ' ' ASP . 44.1 t0 -54.0 -23.42 13.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.272 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.39 -40.33 17.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 82.8 t80 -63.28 -42.69 99.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.348 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -70.84 -55.06 9.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -54.73 -18.23 4.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.415 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.503 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 64.3 t80 -82.83 0.0 46.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.665 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.51 71.72 0.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.6 Cg_endo -77.62 155.28 31.43 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 123.008 2.472 . . . . 0.0 112.272 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -101.18 1.52 39.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -126.51 33.0 5.07 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.714 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -44.32 100.57 0.23 Allowed Pre-proline 0 N--CA 1.451 -0.379 0 O-C-N 123.862 0.726 . . . . 0.0 110.009 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -81.45 144.85 14.55 Favored 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.909 2.406 . . . . 0.0 112.627 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.9 p -78.48 -12.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.744 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.5 HG22 ' CD1' ' A' ' 82' ' ' TYR . 84.8 mt -50.51 -18.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.08 -57.49 12.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.476 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.07 -47.59 61.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.86 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 78.2 p -59.76 -36.66 77.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 84' ' ' ASN . 3.2 m-85 -68.19 177.5 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.1 t90 64.4 -65.38 0.14 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.433 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 82' ' ' TYR . 94.0 m-20 -60.61 -42.65 97.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -66.14 -33.5 75.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.837 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.05 -42.52 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.9 tmtt? -66.29 -58.72 4.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.512 0.672 . . . . 0.0 110.521 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -59.06 -21.47 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.6 -56.75 7.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.098 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -52.22 -31.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.335 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -61.06 -62.6 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.0 mttt -63.33 -43.83 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.699 ' HZ2' H101 ' A' ' 201' ' ' MYR . 79.2 tttt -59.93 -17.36 37.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -52.99 -5.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.532 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 92' ' ' LYS . 86.5 t -43.49 -65.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.528 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 5.1 m-20 165.02 60.55 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.286 0.565 . . . . 0.0 110.904 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.1 Cg_endo -91.24 -156.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 123.09 2.527 . . . . 0.0 112.194 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -63.84 -28.29 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.933 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 66.9 t -54.39 -44.71 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.168 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.58 -31.86 71.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.76 -52.84 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.255 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.2 -18.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.415 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.9 t -91.57 -51.82 11.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.227 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.12 0.486 . . . . 0.0 109.852 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -77.46 -56.78 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.55 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.6 m -62.68 -41.89 99.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -122.98 80.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.753 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.25 140.38 58.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.478 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 pt -63.82 -20.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.576 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 117' ' ' ASP . 91.8 mt -91.1 83.9 5.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.502 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -139.57 149.48 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 114' ' ' SER . 4.9 t -72.17 -38.47 69.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -37.38 -40.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 112' ' ' SER . 87.1 p -75.63 160.04 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.06 -41.09 95.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.409 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 118' ' ' LEU . 12.6 m -127.42 132.89 50.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.045 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.418 ' O ' HD23 ' A' ' 110' ' ' LEU . 57.4 m-20 -64.61 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.307 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' H ' HG22 ' A' ' 116' ' ' THR . 98.4 mt -65.14 -38.91 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.767 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 55.59 31.07 16.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.28 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -81.76 126.66 32.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.293 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -123.88 145.43 49.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -129.52 123.88 32.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.314 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -118.63 126.85 52.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.383 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 128.91 55.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.509 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.699 H101 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.9 mt-30 -49.05 -40.48 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 110.406 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 98.0 mt-10 -48.34 -10.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.591 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 3' ' ' GLN . 2.2 tt -55.68 -41.41 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m -57.82 -38.99 76.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.39 -39.07 91.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.728 ' ND1' H112 ' A' ' 201' ' ' MYR . 81.4 t60 -58.07 -40.74 81.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.496 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.84 -62.38 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.218 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -51.11 -43.01 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.952 0.406 . . . . 0.0 110.415 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.799 ' OH ' HG21 ' A' ' 95' ' ' VAL . 5.0 m-85 -62.24 -51.34 68.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.63 -36.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.377 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.45 -39.99 77.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.585 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.5 -42.85 98.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -62.23 -41.08 98.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -62.59 -41.6 99.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.225 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -58.52 -46.02 87.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.837 0.351 . . . . 0.0 111.095 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -56.27 -52.64 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.598 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 24' ' ' VAL . 48.0 mt -67.42 -29.74 69.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.069 0.462 . . . . 0.0 110.474 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -59.72 -28.75 67.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.621 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 76.7 p -78.37 -4.14 46.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.828 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.549 HH22 ' CB ' ' A' ' 81' ' ' SER . 81.5 mtp180 -93.81 0.2 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.87 -2.54 32.76 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.764 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.66 61.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 O-C-N 123.628 0.252 . . . . 0.0 110.393 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.7 ptmt 36.14 -163.74 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.18 0.3 . . . . 0.0 110.282 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.04 109.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HD3' HD22 ' A' ' 32' ' ' LEU . 81.1 tttt -123.72 156.87 35.18 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.371 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -83.47 134.23 34.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.238 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.84 -40.41 16.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 25.9 t0 -55.43 -58.04 9.39 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.177 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.23 -60.44 3.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.45 . . . . 0.0 111.277 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' A' ' 27' ' ' LYS . 61.6 tp -48.77 -45.55 40.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.196 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.593 ' HZ1' HD11 ' A' ' 89' ' ' LEU . 79.6 tttt -76.92 -47.66 20.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.373 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 81.0 t80 -51.95 -64.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.42 -50.55 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.485 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.21 -58.0 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.247 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -57.53 10.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.67 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CE2' ' A' ' 34' ' ' PHE . 53.3 t -45.99 -58.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.643 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -63.97 -44.77 91.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 37.2 t0 -61.24 -66.76 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.33 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 50' ' ' THR . 96.0 mt -66.17 -42.98 92.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.677 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -118.94 78.44 16.33 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.365 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -80.89 -18.7 8.87 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.641 2.227 . . . . 0.0 112.148 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 2.9 m0 -120.94 -8.76 9.34 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.339 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 19.0 m-85 -136.76 69.46 58.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 0.0 110.493 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.33 1.92 7.84 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.791 2.327 . . . . 0.0 112.371 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -62.84 -50.53 70.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -103.04 -76.7 0.58 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.78 112.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.569 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.0 p -124.4 164.28 20.0 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -79.2 125.24 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.717 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -128.86 137.4 51.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.042 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -93.41 -41.62 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.4 -46.61 76.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.494 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' N ' ' A' ' 57' ' ' ARG . 93.9 mtt-85 -70.93 -64.77 0.84 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.566 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.449 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 41.9 t90 -43.3 -26.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.857 -178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 55' ' ' ARG . 76.9 ttt-85 -74.02 -46.64 42.2 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.684 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -62.68 -50.96 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.028 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.46 -24.98 16.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.98 -47.94 62.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.8 t70 -68.81 -41.26 78.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 0.0 110.808 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.9 m -49.86 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.92 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -65.19 -46.33 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.529 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.935 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.6 t0 -53.54 -32.71 51.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.195 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -73.36 -45.84 52.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.55 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.029 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -77.58 -61.0 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.31 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 28.3 m -46.85 -28.07 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.277 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -65.45 -52.81 50.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.479 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.91 70.8 0.32 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 70.9 Cg_endo -81.07 163.4 20.23 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.18 2.586 . . . . 0.0 112.622 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -101.7 1.19 37.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -126.63 27.89 6.01 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.45 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.15 100.42 0.23 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.838 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.13 148.47 16.92 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.702 2.268 . . . . 0.0 112.909 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ALA . 10.4 p -75.29 -22.06 16.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.311 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.1 mt -44.33 -21.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.258 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -56.94 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -46.41 -42.23 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.684 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.549 ' CB ' HH22 ' A' ' 22' ' ' ARG . 19.3 m -59.24 -42.59 91.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.82 173.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.46 -72.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -60.34 -41.27 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.275 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.64 -39.05 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -59.75 -43.22 91.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 0.0 109.889 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -59.05 -59.28 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.322 0.582 . . . . 0.0 110.886 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -57.74 -20.49 35.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.085 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD11 ' HZ1' ' A' ' 33' ' ' LYS . 2.9 tp -63.05 -57.69 9.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.713 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.22 -34.83 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.149 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.44 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.502 . . . . 0.0 110.688 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.9 mttm -59.86 -41.49 91.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.944 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HZ2' H143 ' A' ' 201' ' ' MYR . 83.3 tttt -64.46 -18.16 64.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -55.81 -5.77 0.18 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 92' ' ' LYS . 79.6 t -43.8 -65.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.091 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 6.0 m-20 166.92 61.45 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 121.355 0.598 . . . . 0.0 111.32 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.481 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.9 Cg_endo -90.91 -158.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 123.054 2.503 . . . . 0.0 111.717 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 49.7 tp60 -65.34 -21.45 66.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.273 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.49 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.952 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 78.3 mmm -70.4 -31.13 68.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.373 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.14 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.419 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.87 -18.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.105 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.43 -52.34 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.338 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.85 -23.3 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.207 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -86.01 -58.58 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.58 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 m -63.41 -41.04 98.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -124.36 84.56 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.784 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.15 152.67 44.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.604 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.0 pt -63.84 -24.24 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.479 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 110' ' ' LEU . 96.3 mt -107.05 123.85 48.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 117' ' ' ASP . 57.4 pttt -174.57 -163.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.3 t -48.83 -43.45 38.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.632 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.11 -39.71 95.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.8 p -74.03 160.16 31.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.28 -40.49 81.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.7 p -115.53 145.95 42.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.723 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.469 ' OD2' ' O ' ' A' ' 111' ' ' LYS . 96.8 m-20 -132.03 14.13 4.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 40.5 mt -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.85 18.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 118' ' ' LEU . 91.0 m-70 -130.06 136.0 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -61.33 -48.87 79.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -129.34 126.15 38.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -90.97 127.64 36.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.278 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -110.85 157.63 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.646 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.519 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.728 H112 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.632 ' O ' ' N ' ' A' ' 5' ' ' LEU . 85.8 mt-30 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.545 ' CB ' ' H52' ' A' ' 201' ' ' MYR . 70.0 mm-40 -39.05 -18.64 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.099 0 O-C-N 123.219 0.324 . . . . 0.0 110.695 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.4 tt -58.65 -44.07 90.01 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.268 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -59.24 -48.4 81.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.086 0.469 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -65.76 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.266 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.415 ' HD2' H112 ' A' ' 201' ' ' MYR . 11.8 t-160 -66.87 -32.26 73.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.328 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -38.94 93.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -69.65 -44.27 70.9 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.65 -51.49 68.26 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.34 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.35 -46.11 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.4 -35.2 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.696 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.74 -43.44 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -41.31 97.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.091 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -61.66 -40.67 95.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.221 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.8 -42.32 97.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 110.998 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.95 10.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.738 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 24' ' ' VAL . 65.3 mt -61.45 -25.74 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.551 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -65.38 -34.73 79.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.762 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -74.89 -5.0 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -88.82 7.86 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.721 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.32 -4.76 31.65 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.8 p -66.34 151.61 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.613 0.244 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 9.9 ptmt -51.06 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.651 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.7 t -112.92 109.74 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.9 tttt -131.42 151.22 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.505 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -69.61 135.63 50.2 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.274 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.14 -44.57 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.116 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.1 t0 -53.53 -54.17 41.05 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -61.29 2.38 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.064 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 61.8 tp -47.82 -45.15 29.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HZ1' HD21 ' A' ' 89' ' ' LEU . 77.8 tttt -77.25 -50.53 12.68 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.204 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.2 t80 -49.71 -62.69 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -57.94 -52.18 66.57 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.301 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 60.3 t0 -53.34 -59.73 4.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.252 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.28 -57.9 9.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.423 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.6 t -44.33 -56.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -64.39 -41.71 96.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' OD1' HG11 ' A' ' 59' ' ' VAL . 66.5 t0 -64.51 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.287 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.14 -43.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.05 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.544 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -118.91 79.37 17.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -80.0 -20.49 8.78 Favored 'Trans proline' 0 C--N 1.302 -1.875 0 C-N-CA 122.622 2.215 . . . . 0.0 112.385 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -123.47 -2.23 8.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.1 m-85 -141.43 65.51 21.46 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 121.06 0.457 . . . . 0.0 110.728 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.95 3.9 4.64 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 123.107 2.538 . . . . 0.0 112.191 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -62.1 -48.51 79.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.643 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -115.96 -78.5 0.58 Allowed 'General case' 0 C--O 1.23 0.075 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.591 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.24 90.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 p -86.74 169.99 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.456 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -83.56 124.18 39.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 90.7 m-20 -137.13 141.0 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.4 mt -93.49 -33.58 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.99 -46.48 84.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.652 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 58' ' ' ARG . 99.5 mtt180 -70.62 -65.71 0.7 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CE3' ' OD2' ' A' ' 40' ' ' ASP . 44.3 t-105 -42.01 -30.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.091 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.69 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 58.4 ttm-85 -71.43 -50.21 34.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 55' ' ' ARG . 85.7 mtm180 -63.24 -52.63 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.921 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.556 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.5 t -71.91 -23.02 21.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.56 -47.09 43.83 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -68.91 -40.6 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 110.717 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.9 m -50.99 -66.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.944 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -63.06 -44.78 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -65.93 -62.78 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.0 t0 -50.35 -37.66 38.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.672 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.13 -45.9 58.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -63.23 -43.32 98.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.747 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -75.5 -61.89 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 31.4 m -45.39 -28.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.42 -54.73 24.41 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.4 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.61 71.07 0.25 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.463 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.3 Cg_endo -79.67 160.7 24.93 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.027 2.485 . . . . 0.0 112.439 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -101.63 -2.31 30.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -122.71 27.08 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.5 p -44.47 101.16 0.25 Allowed Pre-proline 0 N--CA 1.452 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.083 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -81.38 150.91 17.44 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.944 2.43 . . . . 0.0 112.549 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.9 p -75.9 -20.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.494 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 92.9 mt -45.37 -21.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -59.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.617 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -45.37 -45.29 12.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 p -57.63 -42.15 82.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.62 178.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.69 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 2.5 t90 71.39 -69.24 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.415 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.12 -41.83 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.21 -38.19 90.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.78 -44.66 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.559 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -60.49 -57.09 14.21 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.063 0.459 . . . . 0.0 110.614 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -16.63 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.389 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.579 HD21 ' HZ1' ' A' ' 33' ' ' LYS . 13.9 tp -64.42 -59.13 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.355 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.29 -32.64 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 94.3 m-20 -60.24 -66.72 0.48 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.102 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.9 mttt -51.52 -37.66 50.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' NZ ' ' H71' ' A' ' 201' ' ' MYR . 86.5 tttt -71.39 -13.97 62.02 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-O 121.16 0.505 . . . . 0.0 110.5 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 69.4 tt0 -60.92 -7.31 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.483 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.7 t -44.17 -66.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.769 -177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 4.5 m-20 165.24 63.62 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 121.691 0.758 . . . . 0.0 110.806 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 13.0 Cg_endo -90.08 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.296 -2.186 0 C-N-CA 123.211 2.608 . . . . 0.0 112.047 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 65.1 tp60 -73.43 -16.3 61.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 0.0 110.417 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.85 -45.41 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 94.9 mtp -83.58 -25.58 30.79 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.611 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.91 63.34 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.838 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.14 80.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.001 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 104' ' ' ALA . 2.1 t -53.27 -57.56 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.015 -178.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -52.77 -42.58 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.73 -44.5 96.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 m -63.08 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -138.15 81.4 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.454 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.7 151.61 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' O ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 pt -64.05 -39.77 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -100.94 113.98 27.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -148.99 155.75 41.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' SER . 48.4 t -62.4 -42.58 99.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.776 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -41.05 -41.19 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 112' ' ' SER . 96.5 p -66.29 164.45 15.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.592 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -42.1 -54.69 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.362 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.0 p -139.76 152.16 46.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.384 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.57 -34.91 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 118' ' ' LEU . 92.1 mt -64.7 -40.74 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' HIS . 79.1 mt-10 55.11 101.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -66.79 -36.13 81.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.695 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -59.41 -37.37 77.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 119' ' ' GLU . 79.0 m80 -116.0 124.47 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -110.32 123.02 49.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.488 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -107.43 137.43 45.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.632 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.616 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.545 ' H52' ' CB ' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 5' ' ' LEU . 99.0 mm-40 -46.18 -42.64 14.33 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.589 ' OE1' ' H72' ' A' ' 201' ' ' MYR . 84.2 tt0 -43.32 -16.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.887 0.375 . . . . 0.0 110.629 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 3' ' ' GLN . 4.0 tt -53.74 -41.09 66.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -59.26 -44.67 92.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.18 -36.02 82.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.254 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.695 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 86.4 t60 -60.49 -39.11 86.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.231 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.24 -62.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -51.76 -46.81 64.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.408 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' GLN . 5.8 m-85 -60.58 -52.71 64.01 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.314 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.63 -38.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.416 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -68.13 -36.2 79.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.693 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.9 mm-40 -66.63 -41.74 87.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.3 -40.33 97.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.797 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.269 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 21' ' ' THR . 85.6 mt-30 -56.49 -46.57 80.4 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.859 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.71 -54.86 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.8 -30.98 72.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.542 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -60.89 -28.02 68.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 17' ' ' GLN . 72.4 p -79.74 -4.41 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.809 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.424 HH22 ' HB3' ' A' ' 81' ' ' SER . 81.9 mtp180 -91.05 1.87 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.626 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.72 87.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.3 p -63.72 147.13 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.654 0.264 . . . . 0.0 110.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.42 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.583 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.68 107.5 23.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.735 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' CE ' HD22 ' A' ' 32' ' ' LEU . 47.6 tttp -126.72 148.4 49.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.348 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -71.16 130.81 42.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.718 -0.793 . . . . 0.0 110.328 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.21 -40.55 12.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.617 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.6 t70 -54.45 -56.14 21.71 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.19 -177.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.64 -58.56 5.98 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.447 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' A' ' 27' ' ' LYS . 55.7 tp -49.7 -42.99 47.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.435 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.582 ' NZ ' H122 ' A' ' 201' ' ' MYR . 74.9 tttt -80.6 -46.98 14.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 80.5 t80 -53.49 -54.07 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.696 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.32 -50.93 65.87 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.353 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.82 -60.69 3.43 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 41' ' ' ILE . 61.8 t80 -53.97 -64.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.841 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.96 -58.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.23 -43.55 97.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.885 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.528 ' OD2' ' CZ3' ' A' ' 56' ' ' TRP . 62.0 t0 -55.51 -67.26 0.3 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.496 -178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 37' ' ' PHE . 1.1 pt -72.59 -25.81 23.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.654 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.2 72.72 78.51 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 121.339 0.59 . . . . 0.0 111.043 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -79.95 -17.02 11.01 Favored 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 122.503 2.136 . . . . 0.0 112.053 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 96.3 m95 -122.09 -3.76 9.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m-85 -144.48 69.06 15.35 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 110.956 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.11 3.81 5.85 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.65 2.233 . . . . 0.0 112.01 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -61.82 -51.75 66.97 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.621 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -121.89 -79.98 0.62 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.082 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.02 95.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.6 p -83.04 160.6 21.91 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 1.6 pp -76.89 131.91 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 91.0 m-20 -136.73 144.92 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.1 mt -93.58 -35.32 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.479 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -65.41 -47.63 75.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.1 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 58' ' ' ARG . 95.7 mtt-85 -71.54 -64.71 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.716 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 53.1 t-105 -42.14 -31.73 0.4 Allowed 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -70.9 -45.44 64.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.967 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 82.7 mtp180 -64.64 -56.53 13.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.101 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD1' ' A' ' 40' ' ' ASP . 84.7 t -69.98 -25.92 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 -45.77 74.57 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 10.0 t70 -72.62 -42.76 64.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 73.0 m -49.99 -64.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.957 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -63.31 -47.58 81.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.489 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.11 -60.3 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.45 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.1 t0 -54.57 -30.41 54.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.396 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -78.02 -40.04 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.91 0.386 . . . . 0.0 110.955 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -68.4 -39.51 81.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.047 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -79.75 -59.63 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.467 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 41.1 m -46.43 -31.07 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.398 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -63.61 -52.35 61.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.245 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.515 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.78 69.88 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.515 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.2 Cg_endo -81.64 163.43 18.85 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.15 2.567 . . . . 0.0 112.394 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -100.47 -0.81 37.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.45 . . . . 0.0 110.674 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -124.13 27.65 7.04 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.46 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.8 p -45.81 102.97 0.32 Allowed Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.098 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -81.7 147.78 15.59 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.75 2.3 . . . . 0.0 112.722 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.52 -24.65 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.6 mt -46.29 -22.97 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.324 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.59 -63.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -46.94 -38.23 10.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.568 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' HH22 ' A' ' 22' ' ' ARG . 4.3 p -59.66 -46.39 89.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' ASN . 12.8 m-85 -53.38 -179.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.408 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 t90 65.36 -65.96 0.15 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.5 m120 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.05 -34.41 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.4 mm -56.33 -43.92 78.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tmtt? -67.07 -57.17 7.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.528 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.548 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 29.7 tp10 -59.42 -22.96 62.23 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.508 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.63 -54.55 22.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.05 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -55.21 -34.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.03 -178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.99 -63.9 1.14 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.834 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.548 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 59.3 mttp -63.03 -9.99 12.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.529 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.809 ' HZ2' H102 ' A' ' 201' ' ' MYR . 59.5 tttt -91.74 -13.2 31.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -50.67 -6.3 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.037 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 6.7 t -44.31 -68.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.707 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.508 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 2.4 t-20 159.96 62.86 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.769 0.668 . . . . 0.0 111.099 178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -92.16 -157.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.723 2.282 . . . . 0.0 112.067 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.54 -21.75 62.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.149 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.27 -44.67 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.104 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.1 mtp -67.16 -33.99 76.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.574 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.86 66.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.51 -22.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.37 -51.59 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.401 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.67 -36.81 79.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -66.93 -52.14 46.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.599 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 m -62.04 -40.85 97.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.567 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -138.27 88.53 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.41 162.27 23.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.39 -4.88 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.725 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 112' ' ' SER . 61.8 pttt -64.11 -22.56 66.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.435 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 111' ' ' LYS . 0.4 OUTLIER 76.91 -153.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.507 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.81 -41.2 97.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 p -162.18 8.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.74 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -83.35 -163.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.36 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 27.9 p -130.6 159.65 36.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -64.42 -35.94 82.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.712 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.67 -40.05 95.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.533 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 57.2 28.4 15.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -120.52 142.24 49.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.479 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -115.33 137.71 51.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 127.23 55.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -140.07 94.14 2.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -110.98 126.19 54.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.632 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.506 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.809 H102 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.4 mt-30 -46.89 -39.95 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.728 0.299 . . . . 0.0 110.34 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' OE1' ' H52' ' A' ' 201' ' ' MYR . 97.9 mt-10 -48.53 -9.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.795 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -56.25 -39.9 73.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.099 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -59.23 -44.53 92.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.417 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -64.66 -38.84 92.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.98 -40.03 83.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.6 -62.57 1.78 Allowed 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -50.37 -44.43 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.349 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -60.91 -50.63 72.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.539 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.28 -39.55 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.207 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -66.99 -37.05 83.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' CD ' ' HZ3' ' A' ' 92' ' ' LYS . 94.8 mt-30 -65.97 -40.85 91.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.032 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.41 -39.93 95.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.549 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -63.41 -41.06 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.063 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.82 -44.56 90.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -58.65 -52.44 65.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' HG12 ' A' ' 24' ' ' VAL . 95.6 mt -65.28 -29.41 70.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.012 0.434 . . . . 0.0 110.366 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -62.27 -29.79 70.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 78.8 p -76.27 -5.37 46.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.781 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.572 HH22 ' CB ' ' A' ' 81' ' ' SER . 97.8 mtt180 -93.85 -1.71 54.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.357 . . . . 0.0 110.655 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.33 -1.09 36.93 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.8 p -63.58 63.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 23' ' ' GLY . 18.8 ptmt 36.85 -162.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.45 112.77 37.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.287 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HD3' HD11 ' A' ' 32' ' ' LEU . 84.4 tttt -131.24 149.24 52.66 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.256 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -71.58 134.04 46.16 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.889 -0.725 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -40.8 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -44.65 -48.78 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.853 -178.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.29 -49.87 65.62 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.415 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD11 ' HD3' ' A' ' 27' ' ' LYS . 89.3 mt -52.84 -50.02 64.55 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.152 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -75.11 -47.52 28.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.315 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 38' ' ' VAL . 83.1 t80 -52.41 -60.92 2.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.277 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 16.2 t80 -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.286 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.7 -63.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CG ' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.73 -60.89 2.89 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.572 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 59.1 t -45.66 -50.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.975 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HZ2' ' HE2' ' A' ' 35' ' ' PHE . 95.8 mttt -80.21 -21.62 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.188 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -68.52 -68.66 0.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 112.123 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -94.54 -3.92 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -131.98 54.67 14.77 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-O 121.419 0.628 . . . . 0.0 110.476 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 50.6 Cg_endo -70.76 -20.79 29.7 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.269 1.979 . . . . 0.0 111.914 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 90.3 m95 -120.22 -6.86 9.88 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 5.4 m-85 -137.68 71.33 51.01 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.453 . . . . 0.0 110.677 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -78.19 -3.94 13.87 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.686 2.257 . . . . 0.0 112.076 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -62.12 -51.62 67.17 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.505 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -122.21 -78.73 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 109.971 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.95 102.0 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 p -78.88 169.41 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.7 pp -92.0 127.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.557 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -133.65 138.35 45.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.233 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.75 -28.51 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.944 0.402 . . . . 0.0 110.469 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -64.94 -43.88 91.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -74.53 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.752 -0.379 . . . . 0.0 109.985 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -43.26 -39.19 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.146 0.498 . . . . 0.0 109.774 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.739 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 42.2 ttm180 -69.68 -44.57 70.17 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.675 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 75.4 ttt180 -67.41 -57.75 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.297 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.76 -27.67 41.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.76 -46.95 64.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 65' ' ' ASP . 20.2 t70 -70.81 -39.37 73.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 76.2 m -53.22 -65.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.927 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.04 -41.87 99.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.557 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.86 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 57.5 tt0 -69.31 -59.97 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.355 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -55.68 -24.7 35.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.306 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -85.74 -45.08 11.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.01 -41.37 97.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -76.0 -59.24 2.85 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 94.6 m -46.95 -29.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.373 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.06 -54.54 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.38 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.92 69.1 0.18 Allowed Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.531 -0.627 . . . . 0.0 111.531 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.494 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 68.0 Cg_endo -79.57 163.09 24.39 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 123.115 2.543 . . . . 0.0 112.186 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -100.63 -5.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.02 33.29 5.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.352 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -45.61 100.97 0.24 Allowed Pre-proline 0 C--N 1.33 -0.269 0 O-C-N 123.47 0.482 . . . . 0.0 109.906 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -82.5 145.09 13.07 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.909 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.412 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.7 p -77.45 -20.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 81.0 mt -44.68 -23.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.401 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -56.72 -61.64 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.278 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -44.99 -41.97 7.83 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.606 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.572 ' CB ' HH22 ' A' ' 22' ' ' ARG . 15.3 m -60.15 -43.33 95.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.766 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -56.6 172.0 0.27 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.171 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.739 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 7.6 t90 71.75 -61.35 0.49 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -62.11 -41.98 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.589 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.35 -34.75 79.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.735 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.28 -42.36 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -65.2 -63.03 1.2 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.153 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -53.95 -22.96 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.474 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.26 -49.18 62.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.5 tt -57.07 -34.13 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.406 0.622 . . . . 0.0 109.959 -178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -62.19 -62.86 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 86.6 tttt -55.76 -30.05 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.947 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.994 ' HZ1' ' H81' ' A' ' 201' ' ' MYR . 6.0 mmtt -62.67 -28.49 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.508 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -42.93 -14.16 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 99.9 t -48.46 -64.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.081 -0.387 . . . . 0.0 111.33 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.619 ' ND2' HG12 ' A' ' 95' ' ' VAL . 2.3 p30 164.55 66.49 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.654 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -94.7 -169.38 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 123.54 2.826 . . . . 0.0 112.051 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -64.09 -24.08 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.191 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.1 t -60.85 -44.34 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.083 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.1 mmm -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.12 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.61 -20.18 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.378 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -91.49 -51.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.363 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.92 -28.85 70.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.112 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -80.78 -58.67 2.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 35.3 m -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.589 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -124.33 83.19 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.334 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.89 167.35 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.35 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.3 pt -89.45 -6.24 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.58 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.96 -41.02 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.751 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 112' ' ' SER . 64.6 pttt -61.73 -36.87 82.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 111' ' ' LYS . 0.7 OUTLIER 75.42 -164.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.99 -41.02 99.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.4 t -166.62 55.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -135.85 165.99 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.731 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.3 p -85.48 167.51 15.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -64.8 -33.83 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.31 -41.01 98.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.76 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 122' ' ' HIS . 96.3 mt-10 57.17 86.97 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -65.99 -40.63 91.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.686 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -56.65 -42.42 78.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 119' ' ' GLU . 76.0 m80 -109.05 121.22 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.404 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -119.91 116.93 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.599 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -105.62 150.13 25.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.499 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.543 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.994 ' H81' ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.496 ' C ' ' H ' ' A' ' 5' ' ' LEU . 98.3 mm-40 -46.55 -38.76 9.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.687 0.28 . . . . 0.0 110.358 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -50.09 -9.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.8 tt -55.23 -38.01 67.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -59.35 -41.43 89.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.494 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.12 -37.5 87.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.388 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.459 ' CE1' H111 ' A' ' 201' ' ' MYR . 31.7 t60 -57.57 -42.29 82.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.23 -61.6 2.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.161 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -49.83 -45.15 49.87 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.281 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.64 -50.32 73.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.879 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -44.68 -39.45 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.69 -38.05 83.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.47 -41.5 96.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.3 mm? -64.11 -39.94 95.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.658 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.1 -42.34 99.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -60.31 -43.64 96.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.408 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.73 -53.19 60.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.63 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' O ' HG12 ' A' ' 24' ' ' VAL . 90.2 mt -65.74 -28.36 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.02 -29.07 70.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.798 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 64.7 p -78.17 -5.45 51.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.886 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -91.98 1.5 57.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 70.43 -2.4 15.53 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.742 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.1 p -62.99 62.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.4 ptmt 35.4 -162.8 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -111.89 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.303 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.607 ' CE ' HD11 ' A' ' 32' ' ' LEU . 84.7 tttt -122.39 155.84 35.22 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.74 133.64 35.15 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.382 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.39 -42.3 12.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.711 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 58.3 t0 -48.91 -48.43 42.56 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.769 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.32 -60.68 3.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.954 0.406 . . . . 0.0 111.196 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' CE ' ' A' ' 27' ' ' LYS . 94.0 mt -47.83 -45.93 30.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.36 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -76.76 -47.55 21.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.198 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 38' ' ' VAL . 74.5 t80 -52.56 -62.13 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.06 -178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.48 -51.61 68.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.906 0.384 . . . . 0.0 111.418 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 29.6 t0 -52.59 -58.75 5.78 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' ILE . 11.4 m-85 -63.1 -54.18 41.93 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.989 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.5 t -48.46 -60.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.045 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.9 -43.03 97.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 5.8 t0 -64.87 -67.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.25 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' PHE . 95.8 mt -64.45 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.514 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 1.1 m -119.24 78.83 18.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.013 0.435 . . . . 0.0 111.192 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.24 -23.38 7.59 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.605 2.203 . . . . 0.0 112.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -121.54 -2.54 9.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 63.3 m-85 -139.89 64.31 27.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.68 0.61 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.888 2.392 . . . . 0.0 111.98 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.84 -50.45 66.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -95.11 -77.24 0.47 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.303 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 112.56 0.04 OUTLIER Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -123.56 170.3 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -91.99 126.57 44.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -135.56 139.09 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.865 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 86' ' ' ILE . 76.9 mt -94.2 -40.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.862 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.84 -44.53 80.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.096 0.474 . . . . 0.0 111.03 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' N ' ' A' ' 57' ' ' ARG . 35.4 ttm180 -68.7 -65.45 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -44.66 -22.51 0.08 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.261 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 55' ' ' ARG . 74.8 ttt180 -73.56 -46.58 46.56 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.843 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -62.94 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.03 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.55 -22.77 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.78 -48.12 51.23 Favored Glycine 0 C--O 1.226 -0.367 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.7 t70 -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.9 m -50.3 -64.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.859 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.06 -47.6 82.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.09 -60.47 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 111.364 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 40.1 t0 -53.76 -35.21 61.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -74.39 -45.49 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.922 0.392 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.68 -41.05 96.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -76.6 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 32.4 m -47.22 -28.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.76 -52.03 62.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.87 69.78 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.6 Cg_endo -76.85 163.32 31.41 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.897 2.398 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -101.03 -5.19 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.798 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -123.21 33.42 5.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.353 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -46.01 102.0 0.28 Allowed Pre-proline 0 CA--C 1.531 0.233 0 O-C-N 123.455 0.472 . . . . 0.0 109.816 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -82.63 152.62 15.24 Favored 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 122.972 2.448 . . . . 0.0 112.815 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 79' ' ' ALA . 11.2 p -78.01 -23.43 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 74.9 mt -45.39 -22.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -55.6 -62.81 1.44 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -47.56 -43.85 25.58 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.485 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.9 p -60.23 -41.0 92.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.32 172.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 69.47 -65.57 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.773 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -59.7 -42.42 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.218 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.17 -37.38 87.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.815 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 HG12 ' A' ' 53' ' ' ILE . 25.2 mm -53.49 -48.88 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -61.45 -54.8 38.7 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.588 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -56.66 -24.45 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.273 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.818 HD21 H132 ' A' ' 201' ' ' MYR . 10.8 tp -64.5 -57.56 8.87 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.908 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 3.8 tt -52.33 -36.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.109 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 82.9 m-20 -57.37 -63.59 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.18 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -56.16 -37.54 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.889 ' HZ1' H102 ' A' ' 201' ' ' MYR . 5.2 mttp -64.71 -18.7 65.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -45.43 -12.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 93' ' ' LYS . 40.4 t -47.54 -64.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.083 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 95' ' ' VAL . 1.5 m120 166.97 68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.309 0 CA-C-O 121.335 0.588 . . . . 0.0 110.439 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -90.7 -173.18 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.096 2.53 . . . . 0.0 112.149 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.475 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -58.94 -44.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.364 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 83.6 mtp -68.59 -32.15 71.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.648 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.44 71.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.363 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.96 -17.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.185 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 t -92.93 -52.24 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.313 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.76 66.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.977 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -83.61 -57.18 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.7 m -59.56 -40.89 88.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' OE2' ' NZ ' ' A' ' 111' ' ' LYS . 70.6 mm-40 -124.94 80.17 1.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.755 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.512 ' OE2' HD12 ' A' ' 110' ' ' LEU . 97.7 mt-10 -65.98 166.05 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.504 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 pt -90.3 -2.32 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.344 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 ' OE2' ' A' ' 108' ' ' GLU . 98.1 mt -63.74 -41.78 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.442 ' NZ ' ' OE2' ' A' ' 107' ' ' GLU . 45.6 pttt -59.88 135.27 57.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.212 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 -153.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.526 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.47 -41.45 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.303 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 77.6 p -152.63 34.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 114' ' ' SER . 96.7 mm-40 -132.61 153.76 50.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 117' ' ' ASP . 37.8 m -80.69 167.14 20.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.59 ' N ' HG22 ' A' ' 116' ' ' THR . 23.5 t0 -56.11 -45.6 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.47 -27.19 68.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 57.24 33.44 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -140.82 139.76 34.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.492 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -111.62 145.5 39.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -104.31 122.41 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -105.53 136.63 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.442 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -105.99 132.56 51.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.54 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.596 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.889 H102 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.808 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.546 ' C ' ' H ' ' A' ' 5' ' ' LEU . 85.8 mt-30 -45.91 -45.75 15.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.699 0.285 . . . . 0.0 110.873 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 98' ' ' GLN . 52.6 mp0 -48.19 -8.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.858 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' A' ' 3' ' ' GLN . 1.8 tt -60.49 -42.16 95.73 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -56.82 -44.48 82.08 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.266 0.555 . . . . 0.0 110.137 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -66.62 -35.71 80.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.137 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.585 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 85.6 t60 -63.09 -30.72 71.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -66.54 -60.36 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -55.21 -45.27 75.91 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -60.98 -52.68 63.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.27 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -43.89 -35.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -71.18 -34.21 70.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 93.2 mm-40 -69.72 -42.65 73.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.405 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -62.56 -40.54 97.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -63.58 -38.45 91.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.09 -43.65 91.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 111.034 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.74 -54.4 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.446 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.4 mt -63.86 -23.26 67.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.067 0.461 . . . . 0.0 110.363 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -69.85 -4.62 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.759 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -92.17 2.2 56.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.63 0.5 63.5 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 19' ' ' LEU . 2.5 p -72.06 150.68 8.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.442 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.5 ptmt -51.04 -164.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 O-C-N 123.385 0.428 . . . . 0.0 110.601 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.3 t -109.14 97.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -100.07 130.89 46.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.166 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -69.69 132.65 46.48 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.958 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -90.97 -39.48 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.53 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 7.0 t0 -54.98 -62.01 1.93 Allowed 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.07 -60.33 2.92 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -50.62 -40.28 52.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HZ1' HD21 ' A' ' 89' ' ' LEU . 78.1 tttt -81.65 -48.05 12.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.108 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.6 t80 -51.55 -56.41 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.486 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.66 -50.17 70.31 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.542 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.05 -58.15 8.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.356 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CE2' ' CH2' ' A' ' 56' ' ' TRP . 15.7 m-85 -61.87 -56.39 19.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.443 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.4 t -41.5 -45.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.1 -21.9 36.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.38 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 40.5 t0 -70.0 -68.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.338 -0.545 . . . . 0.0 112.155 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 50' ' ' THR . 2.0 pt -89.04 -7.86 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.627 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -131.85 57.29 29.11 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 121.748 0.785 . . . . 0.0 110.79 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.74 -25.32 20.53 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 C-N-CA 122.15 1.9 . . . . 0.0 112.251 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.433 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 6.1 m-90 -120.32 3.5 10.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 7.4 m-85 -145.82 67.61 12.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -76.62 -1.64 11.77 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.862 2.375 . . . . 0.0 112.223 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -62.21 -50.55 71.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.459 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -121.92 -78.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.875 0.369 . . . . 0.0 110.156 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.8 103.42 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.521 ' O ' HD12 ' A' ' 41' ' ' ILE . 1.7 p -86.38 162.34 18.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.468 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.3 pp -81.51 135.18 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.767 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' OD2' ' O ' ' A' ' 51' ' ' ILE . 97.4 m-20 -139.03 143.21 38.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mt -90.9 -33.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.089 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -45.58 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.6 mtt180 -76.49 -63.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.602 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.64 ' CH2' ' CE2' ' A' ' 37' ' ' PHE . 71.5 t-105 -42.03 -35.1 0.81 Allowed 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.672 ' NH2' ' NE1' ' A' ' 83' ' ' TRP . 57.7 ttm-85 -71.4 -44.61 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.252 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 68.3 ttt180 -63.76 -57.45 9.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.476 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.472 HG11 ' OD2' ' A' ' 40' ' ' ASP . 55.1 t -68.62 -24.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -50.25 35.15 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.0 t70 -67.76 -43.74 79.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 110.723 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 82.9 m -48.47 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.14 -46.98 81.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.271 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -63.47 -61.82 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ASP . 38.2 t0 -50.21 -36.41 30.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.265 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -70.64 -45.84 64.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -62.46 -44.1 97.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.764 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -74.82 -61.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.253 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 49.2 m -44.81 -29.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.324 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.44 -52.44 58.04 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.586 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 120.85 70.7 0.29 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.8 Cg_endo -79.5 161.5 25.2 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.075 2.517 . . . . 0.0 112.223 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -100.21 0.61 40.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -126.28 28.76 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.414 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -46.57 102.89 0.33 Allowed Pre-proline 0 CA--C 1.532 0.265 0 O-C-N 123.803 0.69 . . . . 0.0 110.097 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.74 153.12 17.36 Favored 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.794 2.33 . . . . 0.0 112.719 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -78.16 -13.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.412 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 82.8 mt -48.52 -22.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -56.53 -62.69 1.55 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.37 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -42.19 -41.45 2.7 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.168 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.323 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 3.8 t80 -59.86 167.83 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.107 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.689 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 3.2 t90 80.27 -74.19 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.65 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.19 -40.79 95.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD23 ' OE1' ' A' ' 88' ' ' GLU . 31.4 mt -63.61 -40.4 96.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.501 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.6 -44.15 84.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.776 0.322 . . . . 0.0 110.231 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.01 -54.54 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.329 0.585 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE1' HD23 ' A' ' 85' ' ' LEU . 2.4 pt-20 -61.64 -19.45 62.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 0.0 110.258 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.839 HD23 H143 ' A' ' 201' ' ' MYR . 1.4 tp -65.3 -58.6 5.51 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.676 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.4 tt -55.51 -34.39 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.362 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -58.66 -64.38 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 95' ' ' VAL . 88.6 tttt -61.91 -42.05 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.588 ' HZ2' H101 ' A' ' 201' ' ' MYR . 60.2 tttt -62.95 -12.76 27.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.513 . . . . 0.0 110.743 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.33 -3.7 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.555 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 92' ' ' LYS . 95.8 t -44.36 -64.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.91 -178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER 163.58 60.04 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 0.0 110.808 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.54 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.986 2.458 . . . . 0.0 112.238 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.438 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 57.6 tp60 -64.59 -21.86 66.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.218 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.26 -44.91 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.39 -29.79 68.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.13 -48.35 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.701 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.97 -16.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.378 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.2 t -91.59 -51.86 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.352 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.82 -28.18 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.002 0.429 . . . . 0.0 109.953 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -77.55 -53.59 7.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.7 m -61.31 -40.1 92.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -133.42 85.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.82 158.33 32.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.663 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.74 -40.58 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.37 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.35 121.26 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.298 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.44 ' HG3' ' H ' ' A' ' 114' ' ' SER . 50.4 pttt -157.86 160.09 37.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -61.79 -41.74 98.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -52.22 -41.41 62.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.383 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 116' ' ' THR . 22.1 m -77.62 82.32 4.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.452 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 48.55 -89.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' SER . 54.8 p -133.2 155.96 48.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -65.38 -36.06 82.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.4 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.96 -39.73 90.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.38 95.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.659 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -118.32 146.03 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -112.49 127.19 55.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.546 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -115.65 120.24 38.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.603 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 125' ' ' HIS . 42.3 p-80 -111.68 153.9 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 124' ' ' HIS . 71.6 m80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.839 H143 HD23 ' A' ' 89' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' LEU . 87.4 mt-30 -45.91 -44.48 14.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.588 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.566 ' OE1' ' H52' ' A' ' 201' ' ' MYR . 79.5 tt0 -43.68 -16.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.043 0.449 . . . . 0.0 110.594 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.8 tt -56.68 -40.8 76.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -57.74 -43.88 85.67 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.3 -39.35 89.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.441 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.719 ' ND1' H112 ' A' ' 201' ' ' MYR . 83.9 t60 -57.47 -37.45 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.146 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.14 -62.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -50.2 -47.18 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.571 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.52 -50.61 72.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.481 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -46.27 -40.93 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 0.0 110.361 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.66 -33.9 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -69.0 -40.9 78.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.17 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.5 mm? -64.71 -40.41 95.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -62.85 -43.21 99.4 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.268 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -57.55 -47.31 82.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.345 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.58 -52.91 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.709 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.26 -30.32 70.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.1 p -58.11 -48.15 81.08 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -58.98 -13.92 7.86 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.034 -177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 79.92 9.11 87.08 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.774 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.4 p -59.15 67.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' N ' ' O ' ' A' ' 23' ' ' GLY . 15.6 ptmt 37.52 -170.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.388 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.3 t -112.81 99.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HE2' HD11 ' A' ' 32' ' ' LEU . 47.4 tttt -114.07 172.09 7.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.326 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 79.4 m-85 -103.18 130.97 50.53 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.042 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.85 -41.24 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.895 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 37.7 t0 -53.86 -52.19 61.23 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.522 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.5 -56.78 11.85 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.604 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD11 ' HE2' ' A' ' 27' ' ' LYS . 97.0 mt -53.99 -42.44 69.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -78.98 -48.16 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 81.2 t80 -56.32 -52.28 65.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.777 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.73 -50.85 67.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.873 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 m-20 -56.4 -54.63 43.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.816 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.36 -50.78 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.899 0.381 . . . . 0.0 111.05 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 34' ' ' PHE . 38.3 t -49.52 -55.29 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -65.77 -44.09 86.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 63.2 t0 -62.54 -67.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.238 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' NH2' ' A' ' 55' ' ' ARG . 95.8 mt -63.54 -42.51 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -120.71 79.07 30.69 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.295 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -79.89 -22.51 7.46 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.631 2.22 . . . . 0.0 112.199 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -120.88 2.18 10.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.281 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.498 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 71.7 m-85 -147.85 65.81 9.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.623 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.85 1.46 7.63 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.956 2.437 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -64.06 -46.44 84.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -105.25 -78.11 0.58 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.795 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 109.32 0.04 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -107.98 170.99 7.65 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -92.85 124.61 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.385 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 51' ' ' ILE . 92.7 m-20 -136.91 138.93 41.19 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -94.55 -38.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.71 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -67.13 -43.32 82.7 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 41' ' ' ILE . 71.6 ttt180 -72.03 -65.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.442 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -44.57 -23.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.045 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 55' ' ' ARG . 65.5 ttp85 -74.52 -46.92 36.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.54 -50.71 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.024 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -76.32 -22.69 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.387 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.05 -45.03 86.39 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.3 t70 -71.42 -41.0 70.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.073 0.463 . . . . 0.0 110.93 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.19 -65.44 0.56 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.5 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -62.9 -46.52 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.42 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.59 -60.62 3.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.97 0.414 . . . . 0.0 111.08 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.2 t0 -51.11 -23.74 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.038 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -84.19 -41.16 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.49 -42.96 99.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -70.56 -59.33 2.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -51.46 -17.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 81.2 t80 -85.53 4.26 36.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.82 73.81 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.7 157.52 24.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.964 2.443 . . . . 0.0 112.089 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -100.93 -4.54 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.749 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -119.63 28.17 8.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.14 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.3 p -46.21 102.72 0.32 Allowed Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 123.426 0.454 . . . . 0.0 109.946 -178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -81.6 146.65 15.24 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.549 2.166 . . . . 0.0 112.723 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.85 -24.08 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.522 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.5 mt -48.32 -24.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.272 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.97 -62.24 1.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.293 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -48.31 -42.2 30.41 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.52 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 t -59.57 -42.11 91.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.428 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.1 m-85 -59.51 -178.28 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.932 0.396 . . . . 0.0 110.703 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 67.18 -69.57 0.13 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.627 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' TYR . 71.8 m-20 -60.38 -41.16 93.21 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.201 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD23 ' CD ' ' A' ' 88' ' ' GLU . 19.1 mt -63.6 -35.66 81.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.879 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.55 -45.49 90.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.214 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.64 -56.29 23.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.438 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -59.32 -20.5 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 -179.395 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' CD2' H143 ' A' ' 201' ' ' MYR . 2.8 tp -64.54 -54.4 32.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.7 tt -58.52 -31.91 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.826 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.71 -64.34 0.97 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.702 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.79 -39.66 85.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.607 ' HZ2' H101 ' A' ' 201' ' ' MYR . 86.0 tttt -67.18 -13.93 62.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.272 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -60.9 -6.51 1.85 Allowed 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.331 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.897 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -43.46 -64.03 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.366 -177.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.897 ' H ' HG13 ' A' ' 95' ' ' VAL . 6.0 m-20 166.43 59.69 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 111.037 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.85 -161.64 0.1 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.772 2.315 . . . . 0.0 111.244 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -19.75 66.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.8 t -60.65 -46.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.009 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.436 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 87.2 mtp -72.15 -33.01 67.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.434 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -59.12 -50.56 73.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -48.35 -17.31 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.099 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 105' ' ' GLN . 11.4 t -101.57 -50.04 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.689 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.76 15.73 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 103' ' ' VAL . 87.5 mt-30 -136.59 -48.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.588 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 24.1 m -68.73 -18.88 64.31 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.585 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 57.79 69.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.57 152.14 44.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.8 pt -73.05 -16.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.62 -39.66 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.277 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 112' ' ' SER . 45.7 pttt -59.1 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.19 0.519 . . . . 0.0 110.138 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 9.5 m 50.19 -109.65 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.786 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.473 ' ND2' ' OE1' ' A' ' 119' ' ' GLU . 91.2 m-20 -66.51 -41.23 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 111.259 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.496 ' O ' ' O ' ' A' ' 111' ' ' LYS . 37.5 p -156.46 164.78 37.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.576 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' SER . 86.7 mt-30 -38.93 -32.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.09 121.23 25.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.64 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -71.41 -35.75 71.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.659 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.78 -39.97 95.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.525 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.473 ' OE1' ' ND2' ' A' ' 113' ' ' ASN . 96.7 mt-10 58.46 11.92 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 122' ' ' HIS . 81.0 t60 -81.53 134.26 35.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 121' ' ' HIS . 97.6 m-70 -67.32 157.1 34.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -137.87 106.85 5.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -112.28 157.14 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.3 m80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.578 179.723 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.719 H112 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' N ' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.535 ' C ' ' H ' ' A' ' 5' ' ' LEU . 89.0 mt-30 -42.42 -23.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.583 ' OE1' ' H21' ' A' ' 201' ' ' MYR . 56.7 mp0 -53.28 -4.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.9 tt -70.86 -44.57 66.12 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -72.88 -31.91 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' OE1' HG11 ' A' ' 95' ' ' VAL . 89.2 mt-30 -68.46 -44.6 74.5 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -58.95 -46.8 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.491 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.23 -56.62 9.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -52.52 -43.83 65.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.47 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -58.12 -59.1 5.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.613 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -42.15 -38.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.486 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -69.73 -32.74 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 11' ' ' TYR . 84.0 mt-30 -70.77 -45.88 63.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.35 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.0 mm? -60.42 -39.74 88.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.14 -40.54 97.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.83 -44.97 91.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -54.58 -57.88 9.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.702 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.7 -25.19 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.287 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -63.71 -33.57 75.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 18' ' ' ALA . 71.5 p -70.65 -11.12 60.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.736 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -85.92 -1.47 57.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.51 3.38 88.79 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -66.01 149.15 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 24' ' ' VAL . 7.0 ptmt -50.47 -169.38 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.981 0.42 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -109.17 105.06 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -123.38 174.97 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' LEU . 93.0 m-85 -97.95 134.35 41.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.231 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.16 -44.36 11.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.417 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 30.1 t0 -53.38 -54.64 33.73 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.219 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.99 -61.57 2.3 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.727 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 28' ' ' TYR . 18.8 mt -49.97 -43.78 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.684 ' NZ ' H132 ' A' ' 201' ' ' MYR . 75.4 tttt -77.16 -50.54 12.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.343 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 52.3 t80 -48.69 -63.44 1.09 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.426 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.65 -50.25 70.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.29 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 97.3 m-20 -57.77 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.581 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ASP . 12.7 m-85 -57.27 -63.05 1.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.389 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 42' ' ' CYS . 72.2 t -42.62 -49.35 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -73.21 -21.29 60.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.12 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.2 t0 -80.93 -68.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.496 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -68.02 -42.24 85.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.989 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -117.84 75.9 10.56 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 121.3 0.571 . . . . 0.0 111.344 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -76.64 -20.81 13.42 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.411 2.074 . . . . 0.0 112.206 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.537 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 85.4 m95 -124.85 8.28 8.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.339 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 33.7 m-85 -150.87 63.53 5.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -74.55 3.33 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.044 2.496 . . . . 0.0 112.075 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.08 -48.15 81.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -112.89 -76.69 0.59 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.446 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 103.88 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.61 131.81 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 51' ' ' ILE . 2.7 pp -46.32 129.63 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.508 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -131.64 139.68 49.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 86' ' ' ILE . 48.8 mt -94.07 -38.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.445 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.78 -44.88 92.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ARG . 82.5 mtt85 -73.27 -65.17 0.84 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.898 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 43.4 t-105 -41.71 -28.13 0.13 Allowed 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 67.2 ttp85 -73.08 -47.79 41.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.753 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ARG . 87.1 mtm180 -64.31 -55.93 17.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.914 0.387 . . . . 0.0 111.044 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG11 ' OD2' ' A' ' 40' ' ' ASP . 73.7 t -69.64 -23.06 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.744 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.8 -48.1 51.23 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.7 t70 -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 110.616 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.8 m -52.63 -67.28 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -60.79 -45.49 94.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.747 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -64.58 -62.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.135 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.6 t0 -52.48 -25.02 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -84.34 -42.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -62.36 -42.35 99.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -69.37 -59.73 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.1 m -50.28 -23.0 2.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.39 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 87.5 t80 -79.71 4.04 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.66 75.2 0.22 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -78.45 160.79 28.7 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.052 2.501 . . . . 0.0 112.365 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -100.11 -5.98 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -123.33 33.53 5.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.535 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.8 p -45.92 102.12 0.29 Allowed Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.743 0.652 . . . . 0.0 110.238 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -82.51 144.92 12.97 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.907 2.405 . . . . 0.0 112.537 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.22 -20.7 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.7 mt -51.83 -22.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.327 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -57.83 -64.39 0.92 Allowed 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -42.17 -32.39 0.47 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.076 -0.25 . . . . 0.0 110.722 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -61.43 -35.44 77.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' ' C ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -53.52 165.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.616 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.2 t90 69.55 -57.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.723 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.41 -36.29 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 53' ' ' ILE . 18.0 mm -56.93 -45.14 83.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.412 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.6 tmtt? -67.71 -59.71 3.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.197 0.522 . . . . 0.0 110.721 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.59 -19.99 12.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.96 -54.25 10.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.27 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.9 tt -54.76 -36.56 37.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 88.6 m-20 -59.36 -63.99 1.11 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.18 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.41 -10.84 8.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.09 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.633 ' NZ ' H101 ' A' ' 201' ' ' MYR . 51.5 tttt -89.51 -10.34 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' ASN . 24.0 tp10 -47.97 -8.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.768 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 93' ' ' LYS . 3.4 p -45.26 -17.59 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.609 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 94' ' ' GLU . 6.3 m-80 81.68 64.55 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.486 0.491 . . . . 0.0 111.387 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 59.2 Cg_endo -90.57 -129.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.392 2.728 . . . . 0.0 111.873 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.423 ' H ' ' HB2' ' A' ' 97' ' ' PRO . 63.1 tp60 -72.7 -25.87 61.39 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.16 -43.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.313 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.5 mmm -73.38 -26.11 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.457 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -70.2 -47.65 60.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.243 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -12.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.252 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 101' ' ' ALA . 7.1 t -98.39 -51.13 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.449 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.9 -13.57 46.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -101.66 -59.25 1.73 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.675 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.0 m -60.8 -41.65 96.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -124.58 87.01 2.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.637 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 141.23 51.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.7 pt -68.46 -14.55 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.49 -40.88 98.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 114' ' ' SER . 32.1 pttt -62.21 -31.9 72.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.231 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 m 52.85 -143.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.728 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 111' ' ' LYS . 5.3 p -84.54 -177.65 6.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.487 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -106.54 5.93 29.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.422 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 m -113.01 136.09 53.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.62 -27.15 58.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.485 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.55 -41.65 98.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 122' ' ' HIS . 95.6 mt-10 51.22 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -59.81 -41.92 92.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.713 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -59.19 -48.6 81.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.7 m-70 -103.36 117.63 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.434 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -137.76 101.02 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.286 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -112.78 140.76 47.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 82.9 t60 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.527 179.81 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.684 H132 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.2 mt-30 -44.26 -47.06 9.36 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.384 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' OE2' ' H52' ' A' ' 201' ' ' MYR . 86.6 tt0 -42.33 -16.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.919 0.39 . . . . 0.0 110.734 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.3 tt -58.12 -43.04 86.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -58.07 -43.94 87.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.153 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.07 -41.02 91.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.305 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -58.58 -38.05 77.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.995 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -59.4 -61.71 2.42 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -52.85 -43.57 66.14 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.332 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.2 -50.76 71.8 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.26 -36.68 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.263 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.95 -36.71 75.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.751 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.13 -42.84 79.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.221 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -61.35 -38.86 88.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.16 -47.79 82.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.57 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.804 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.651 ' O ' HG12 ' A' ' 24' ' ' VAL . 69.1 mt -57.84 -27.45 63.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.541 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -65.27 -31.59 72.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.689 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.3 p -74.27 -15.71 60.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -79.07 2.35 20.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.42 1.44 65.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 19' ' ' LEU . 4.4 p -67.34 154.43 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.867 0.365 . . . . 0.0 110.684 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 ptmt -54.42 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.532 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.55 105.21 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 85.8 tttt -125.92 148.31 49.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.463 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -71.54 134.25 46.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.336 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.01 -42.02 14.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.465 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.7 t0 -53.87 -54.63 35.91 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.037 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 11.2 mp -63.26 -59.39 4.8 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.351 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 49.7 tp -49.52 -45.05 46.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 -178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.731 ' HZ1' H142 ' A' ' 201' ' ' MYR . 70.1 tttt -77.96 -47.52 18.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.051 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 38' ' ' VAL . 69.1 t80 -55.21 -50.38 69.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.484 -178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.4 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.748 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -55.8 -56.06 25.0 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.01 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 41' ' ' ILE . 44.4 t80 -55.85 -62.8 1.45 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.915 0.388 . . . . 0.0 111.883 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.5 t -43.81 -59.11 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.432 -177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -65.65 -37.76 87.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.694 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -63.94 -69.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 37' ' ' PHE . 2.2 mt -67.59 -43.08 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.251 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -115.87 78.94 7.56 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 121.107 0.48 . . . . 0.0 111.393 -179.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -79.46 -24.29 6.53 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.374 2.049 . . . . 0.0 112.03 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.515 ' O ' ' CD2' ' A' ' 45' ' ' PHE . 4.4 m0 -122.95 5.59 9.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.386 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 11.3 m-85 -147.2 66.42 10.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.695 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -77.34 1.44 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.854 2.37 . . . . 0.0 111.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -62.85 -50.84 69.34 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.746 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -115.9 -78.79 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.133 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.88 104.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 p -97.83 163.24 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.619 ' CG2' H101 ' A' ' 201' ' ' MYR . 2.0 pp -80.53 131.99 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' NE ' ' A' ' 55' ' ' ARG . 97.4 m-20 -135.31 140.52 45.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.3 mt -93.57 -41.09 12.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.422 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 -45.94 80.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.964 0.411 . . . . 0.0 111.284 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' ARG . 52.3 mtm-85 -71.95 -64.42 0.94 Allowed 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.645 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -43.04 -25.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -73.47 -46.12 50.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ARG . 10.7 mmm-85 -64.24 -51.65 62.57 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.859 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.35 -23.71 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.095 0.474 . . . . 0.0 110.351 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.8 -48.71 53.78 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 65' ' ' ASP . 27.7 t70 -65.79 -38.16 88.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.2 m -53.82 -67.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.855 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.49 -40.44 97.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.14 -62.56 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.939 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.2 t0 -53.85 -22.97 10.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -82.53 -42.17 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.695 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 62.6 t80 -64.12 -41.7 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -69.26 -59.95 2.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -50.27 -20.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.395 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 93.2 t80 -82.93 4.48 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.93 74.03 0.33 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 57.9 Cg_endo -78.82 158.72 27.83 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.954 2.436 . . . . 0.0 112.283 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -99.99 -4.02 30.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -123.62 31.97 5.75 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.306 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.685 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.7 p -47.02 102.91 0.33 Allowed Pre-proline 0 CA--C 1.532 0.264 0 O-C-N 123.389 0.431 . . . . 0.0 110.239 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.29 145.05 13.36 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.665 2.243 . . . . 0.0 112.769 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 79' ' ' ALA . 8.8 p -75.81 -23.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.347 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.3 mt -46.03 -19.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.403 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -60.49 -60.28 4.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.498 . . . . 0.0 110.4 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -45.49 -41.11 9.2 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.402 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.8 p -62.15 -44.99 95.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.4 m-85 -54.2 178.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 13.5 t90 65.68 -64.53 0.19 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' TYR . 70.0 m-20 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 85' ' ' LEU . 82.1 mt -67.03 -34.13 77.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.858 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -57.39 -44.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.208 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -66.0 -56.69 10.34 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.594 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -60.6 -21.37 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.445 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.41 -55.0 13.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.008 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -53.76 -33.76 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.011 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' GLU . 91.0 m-20 -58.55 -62.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.521 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . 96.9 mttt -64.17 -40.9 97.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.061 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HZ2' H101 ' A' ' 201' ' ' MYR . 81.0 tttt -62.89 -15.44 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.176 0.512 . . . . 0.0 111.057 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 10.9 pt-20 -55.31 -3.68 0.07 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.947 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' A' ' 93' ' ' LYS . 14.9 t -45.75 -69.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.02 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.521 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 27.9 t30 170.04 60.18 0.01 OUTLIER Pre-proline 0 N--CA 1.469 0.482 0 O-C-N 123.587 0.554 . . . . 0.0 110.647 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.3 Cg_endo -91.07 -158.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 123.448 2.765 . . . . 0.0 112.028 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.81 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.313 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.18 -44.33 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.179 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mmm -69.01 -31.84 70.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.601 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -67.58 -47.63 69.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.749 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.99 -16.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.8 t -92.46 -51.4 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.501 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.32 -25.36 68.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.245 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.19 -59.63 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.8 m -61.2 -40.91 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.509 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -119.99 77.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.26 152.15 45.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.473 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.4 pt -76.05 -15.07 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.87 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.25 -40.89 98.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.506 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -64.87 142.57 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.493 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 116' ' ' THR . 38.9 m -97.82 -132.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.238 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -62.34 -40.77 97.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -152.21 96.1 2.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.564 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.453 ' O ' ' OG1' ' A' ' 116' ' ' THR . 59.4 tt0 38.0 77.16 0.05 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.629 HG22 ' H ' ' A' ' 118' ' ' LEU . 3.9 m -168.61 144.24 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.439 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -100.52 2.45 41.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.685 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.629 ' H ' HG22 ' A' ' 116' ' ' THR . 85.4 mt -63.2 -41.72 99.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.65 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 122' ' ' HIS . 99.7 mt-10 54.69 99.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -66.23 -40.7 90.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -60.44 -47.12 87.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' A' ' 119' ' ' GLU . 58.3 m80 -92.79 150.31 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -104.85 132.91 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.463 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -111.32 147.33 35.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.528 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.731 H142 ' HZ1' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.2 mt-30 -43.94 -42.28 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' OE2' ' H81' ' A' ' 201' ' ' MYR . 84.7 tt0 -41.39 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.547 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.7 tt -56.16 -41.3 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.187 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -61.46 -42.14 98.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.647 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -66.41 -37.47 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.768 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 84.7 t60 -58.04 -40.9 82.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.16 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.64 -62.7 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.28 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -50.49 -44.96 56.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.741 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -61.73 -52.65 63.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.739 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 t -44.1 -38.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.97 -38.28 79.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.753 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -63.93 -41.33 97.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.4 mm? -64.49 -40.01 94.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.725 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.09 -40.47 95.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' ' 21' ' ' THR . 86.4 mt-30 -57.77 -45.84 85.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.28 36.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.56 -32.94 73.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.027 0.442 . . . . 0.0 110.362 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -59.46 -27.34 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.62 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.8 p -72.33 -7.61 50.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -96.14 -11.72 25.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 0.0 110.579 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 76.96 3.67 81.32 Favored Glycine 0 C--O 1.228 -0.247 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.787 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -60.01 66.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' GLY . 17.4 ptmt 37.35 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.714 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.26 100.47 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' NZ ' ' CD1' ' A' ' 32' ' ' LEU . 64.1 tttt -112.79 159.38 19.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.308 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -91.12 131.49 36.65 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.211 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.28 -41.11 13.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.686 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -52.73 -56.1 17.99 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.417 -178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.83 -59.07 5.0 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.377 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CD1' ' NZ ' ' A' ' 27' ' ' LYS . 1.7 tt -49.24 -46.0 45.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.768 ' NZ ' H122 ' A' ' 201' ' ' MYR . 63.9 tttt -77.08 -48.97 16.36 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.309 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 89.2 t80 -51.51 -64.19 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.811 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 21.4 t80 -57.14 -50.19 73.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.201 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 38.7 t0 -54.05 -57.88 9.39 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.372 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CE2' ' NE1' ' A' ' 56' ' ' TRP . 7.3 m-85 -62.69 -56.26 19.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.544 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' CYS . 14.7 t -46.8 -56.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.715 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -67.25 -44.22 79.97 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.402 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' HG11 ' A' ' 59' ' ' VAL . 37.1 t0 -60.82 -67.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.293 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -43.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.554 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.62 79.22 30.17 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.282 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.88 -19.73 9.47 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.484 2.122 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 4.5 m0 -121.99 -2.6 9.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.1 m-85 -142.83 65.84 16.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.421 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.17 3.06 4.9 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.983 2.456 . . . . 0.0 112.133 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -61.96 -51.28 68.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -113.08 -79.16 0.58 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.106 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.39 92.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -87.25 168.91 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -83.13 129.38 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.759 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -133.83 141.0 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.0 mt -93.21 -38.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.53 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' ARG . 79.8 mmt-85 -77.27 -64.93 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.732 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' NE1' ' CE2' ' A' ' 37' ' ' PHE . 33.1 t90 -42.22 -31.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -73.86 -44.54 55.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.022 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ARG . 90.5 mtt-85 -64.06 -54.34 35.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.141 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG11 ' OD1' ' A' ' 40' ' ' ASP . 76.7 t -73.48 -22.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.55 -45.69 58.44 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.7 t70 -70.9 -40.59 72.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.6 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.928 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -64.3 -45.07 89.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.397 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -66.25 -60.8 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 111.44 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' ASP . 36.9 t0 -53.73 -31.51 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.346 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.25 -45.45 40.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.871 0.367 . . . . 0.0 110.96 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -63.82 -38.7 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.619 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.57 -61.06 2.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 39.9 m -46.29 -28.78 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.385 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.5 -52.65 56.78 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.538 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 122.25 69.03 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.5 Cg_endo -80.75 163.35 21.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 123.074 2.516 . . . . 0.0 112.307 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -100.92 1.24 39.65 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.015 0.436 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -126.4 27.59 6.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.716 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.2 p -45.85 102.51 0.3 Allowed Pre-proline 0 C--O 1.234 0.249 0 O-C-N 123.554 0.534 . . . . 0.0 110.315 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -81.47 149.95 16.89 Favored 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.674 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.44 -16.77 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.8 mt -48.73 -25.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.178 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.26 -62.04 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.467 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -49.01 -42.88 39.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.428 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.5 p -59.17 -42.73 91.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.508 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.1 m-85 -57.42 -179.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.401 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.0 t90 65.4 -64.79 0.17 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.685 0.616 . . . . 0.0 110.527 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' TYR . 65.6 m-20 -61.32 -42.45 98.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.0 -36.0 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -56.28 -43.06 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.138 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.5 tmtt? -67.76 -57.15 6.81 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -59.4 -21.82 60.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.418 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.29 -55.72 12.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.86 -33.87 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.139 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.54 -63.76 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.63 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.3 mttt -63.15 -43.31 98.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.851 ' HZ2' H101 ' A' ' 201' ' ' MYR . 58.3 tttt -61.67 -14.75 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.685 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -54.54 -4.14 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.522 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' LYS . 17.2 t -43.02 -66.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.683 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.539 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 2.6 p30 165.56 59.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.042 0.214 . . . . 0.0 110.781 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.7 Cg_endo -90.9 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 123.07 2.513 . . . . 0.0 112.427 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -61.23 -22.56 64.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.128 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.17 -44.77 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 50.6 mmm -66.84 -32.9 74.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.64 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.11 -20.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.193 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.03 -51.69 11.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.262 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.81 83.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.037 0.446 . . . . 0.0 109.909 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.63 -54.85 13.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.703 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.3 m -63.11 -41.15 99.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.682 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -121.94 76.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.68 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.94 148.36 50.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.348 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.44 HG23 ' HG ' ' A' ' 110' ' ' LEU . 13.3 tt -61.19 -37.7 78.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.294 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.44 ' HG ' HG23 ' A' ' 109' ' ' ILE . 91.3 mt -75.81 85.3 2.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.437 ' HG3' ' H ' ' A' ' 114' ' ' SER . 60.0 pttt -142.33 159.97 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.786 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -63.48 -40.53 97.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -50.03 -39.0 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.437 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 5.1 p -67.13 161.12 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 85.0 mt-30 -36.22 -48.09 0.61 Allowed 'General case' 0 N--CA 1.461 0.094 0 O-C-N 123.375 0.422 . . . . 0.0 110.677 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.9 p -143.16 155.59 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -78.54 -53.1 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.568 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 120' ' ' HIS . 96.7 mt -64.6 -40.75 96.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.723 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 56.68 5.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' H ' ' C ' ' A' ' 118' ' ' LEU . 9.5 m-70 -66.66 -40.15 88.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.05 148.62 46.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -105.0 131.84 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -139.88 93.65 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -111.91 131.14 55.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.581 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.851 H101 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' LEU . 99.3 mm-40 -42.96 -43.01 3.97 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 28.9 tp10 -43.23 -14.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.901 0.381 . . . . 0.0 110.685 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.8 tt -58.44 -45.8 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.149 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -61.21 -44.67 96.9 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.553 . . . . 0.0 110.175 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.19 -41.37 97.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.453 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.553 ' CE1' H112 ' A' ' 201' ' ' MYR . 7.4 t60 -61.3 -39.35 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.306 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -52.57 -57.17 10.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.036 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -50.98 -43.84 60.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.322 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.34 -50.72 72.5 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.793 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' A' ' 8' ' ' HIS . 1.5 t -45.93 -36.29 2.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.31 -36.57 77.11 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.483 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.69 -41.24 83.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 4.1 mm? -63.44 -41.32 98.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.029 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -61.77 -40.68 96.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.271 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.75 -43.55 94.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -55.33 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 24' ' ' VAL . 92.1 mt -59.7 -26.34 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.169 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -63.3 -35.1 79.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -69.1 -16.34 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.56 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 85.2 mtp180 -84.38 -5.3 59.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.62 2.32 35.25 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.772 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.7 p -64.0 64.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLY . 19.2 ptmt 36.49 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.476 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.43 106.68 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.621 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -124.02 144.73 49.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.362 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -70.07 133.27 47.01 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.209 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.92 -41.3 14.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.361 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 6.9 t0 -53.73 -56.0 21.29 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.181 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.58 -60.37 3.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.292 0.37 . . . . 0.0 111.351 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.76 -44.29 18.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.628 ' NZ ' H131 ' A' ' 201' ' ' MYR . 77.1 tttt -74.79 -49.41 20.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.869 ' O ' HG22 ' A' ' 38' ' ' VAL . 2.7 m-85 -51.15 -67.45 0.25 Allowed 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.615 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' CE1' ' NZ ' ' A' ' 39' ' ' LYS . 51.9 t80 -44.8 -62.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 111.383 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -57.78 -61.85 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' ASP . 2.6 t80 -54.26 -67.73 0.24 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 34' ' ' PHE . 4.9 m -42.56 -38.17 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.075 0.464 . . . . 0.0 111.073 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' NZ ' ' CE1' ' A' ' 35' ' ' PHE . 81.4 mttt -84.2 -21.41 31.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.324 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 37' ' ' PHE . 67.5 t0 -70.99 -68.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.956 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' CE2' ' A' ' 37' ' ' PHE . 2.5 pt -90.94 -4.47 10.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -134.39 56.58 18.89 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.729 0.776 . . . . 0.0 110.698 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 46.8 Cg_endo -72.21 -21.03 24.02 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.239 1.959 . . . . 0.0 112.16 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -119.84 -1.83 10.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -143.27 69.73 17.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.569 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.8 -1.04 11.22 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 123.057 2.505 . . . . 0.0 112.117 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -62.71 -51.05 68.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -119.5 -79.56 0.6 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.311 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.61 96.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 p -84.06 165.24 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.316 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.5 pp -83.48 132.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -139.49 142.12 37.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.517 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.3 mt -93.56 -39.25 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.63 -45.38 83.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.023 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 58' ' ' ARG . 93.0 mtt180 -69.95 -65.39 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.295 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' ' 56' ' ' TRP . 43.6 t90 -42.32 -27.37 0.14 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.741 ' NH2' ' HE1' ' A' ' 83' ' ' TRP . 62.1 ttm-85 -71.56 -46.72 58.65 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.521 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 55' ' ' ARG . 96.4 mtt-85 -63.42 -54.28 39.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.425 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.77 -23.36 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 -47.0 53.04 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 65' ' ' ASP . 14.0 t70 -71.51 -43.53 66.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.072 0.463 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 71.4 m -49.95 -65.6 0.53 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -62.48 -47.46 83.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.231 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.48 -61.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.403 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.0 t0 -51.54 -31.94 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.542 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -77.46 -43.06 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -66.95 -41.69 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -75.7 -62.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.069 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.1 m -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.73 -54.46 26.9 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.597 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 125.03 68.95 0.19 Allowed Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.496 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 61.5 Cg_endo -78.4 159.46 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.061 2.508 . . . . 0.0 112.35 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -102.27 -6.06 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -116.56 24.39 11.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.43 100.91 0.23 Allowed Pre-proline 0 CA--C 1.534 0.333 0 O-C-N 123.814 0.697 . . . . 0.0 110.041 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.83 147.65 17.14 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.859 2.373 . . . . 0.0 112.547 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.34 -20.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.483 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 84.6 mt -52.3 -22.41 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.61 -62.46 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -45.78 -43.55 13.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.483 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.481 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 17.6 m -57.5 -44.35 84.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.1 m-85 -57.29 -179.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.433 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.741 ' HE1' ' NH2' ' A' ' 57' ' ' ARG . 45.9 t90 67.79 -67.07 0.19 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.448 0.467 . . . . 0.0 110.507 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' TYR . 40.7 m-20 -61.18 -40.44 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD23 ' CD ' ' A' ' 88' ' ' GLU . 35.0 mt -65.6 -35.35 80.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.9 mm -57.93 -42.01 81.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.192 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -67.1 -59.2 3.66 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.623 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.57 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.5 pt-20 -59.18 -18.44 36.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.589 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.67 -54.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.682 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.2 tt -58.25 -30.52 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.097 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.07 -64.8 0.81 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.043 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.565 ' O ' HG23 ' A' ' 95' ' ' VAL . 97.9 mttt -59.56 -41.47 90.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.775 ' NZ ' H102 ' A' ' 201' ' ' MYR . 84.3 tttt -63.81 -14.99 57.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.169 0.509 . . . . 0.0 110.32 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.66 -5.17 0.52 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.936 0.398 . . . . 0.0 110.692 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.5 t -44.69 -66.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.776 -177.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.516 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.7 t30 168.34 62.01 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.474 0.654 . . . . 0.0 110.837 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 17.8 Cg_endo -91.46 -159.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.301 -1.929 0 C-N-CA 122.927 2.418 . . . . 0.0 112.139 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.24 -18.3 64.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.354 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.06 -44.28 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.347 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mtp -69.51 -29.13 66.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.474 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.43 -45.48 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.459 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -14.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.252 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.4 t -93.63 -53.09 8.89 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.167 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.55 -24.33 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -81.81 -55.34 4.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.673 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.3 m -62.95 -42.82 99.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.753 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -117.66 78.71 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.53 162.9 26.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.429 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 pt -57.89 -31.57 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.564 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.24 124.72 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.378 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.487 ' HG3' ' H ' ' A' ' 114' ' ' SER . 42.6 pttt -173.38 -177.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.5 t -60.96 -44.5 97.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.08 -39.77 93.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.739 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.487 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 77.8 p -66.19 156.6 33.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.553 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.07 -39.6 95.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 118' ' ' LEU . 12.4 m -95.73 133.14 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.299 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 111' ' ' LYS . 77.3 m-20 -119.44 18.24 12.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.532 ' H ' HG22 ' A' ' 116' ' ' THR . 91.9 mt -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 51.55 9.53 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 118' ' ' LEU . 65.2 m80 -66.25 -39.93 89.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -104.11 128.47 51.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -112.98 123.88 51.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.45 101.74 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -112.66 155.47 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.622 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.569 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.775 H102 ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.554 ' C ' ' H ' ' A' ' 5' ' ' LEU . 79.3 mt-30 -49.42 -41.5 39.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.628 0.252 . . . . 0.0 110.63 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -48.59 -8.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.5 tt -55.73 -45.18 78.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -61.46 -40.79 95.8 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.388 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.54 -37.96 89.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.444 ' CD2' ' H92' ' A' ' 201' ' ' MYR . 11.8 t-160 -64.47 -40.58 95.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -49.65 -45.43 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.578 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -62.95 -51.7 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.2 t -44.07 -37.03 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.06 -37.18 75.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.8 mt-30 -66.4 -41.77 88.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.21 -39.74 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.089 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 86.2 mt-30 -58.11 -48.33 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 0.0 110.945 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.99 -54.94 27.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.87 -32.13 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.928 0.394 . . . . 0.0 110.618 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.76 -22.29 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.507 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' GLN . 68.8 p -87.47 -3.38 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.511 HH22 ' CB ' ' A' ' 81' ' ' SER . 89.2 mtt180 -91.85 10.39 28.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.798 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.28 -7.45 37.81 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -62.86 145.95 13.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.666 0.269 . . . . 0.0 110.532 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 24' ' ' VAL . 5.7 ptmt -52.37 -167.59 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.91 103.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 83.0 tttt -125.56 154.86 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.443 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.8 134.66 36.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.271 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.49 -43.06 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.132 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 18.1 t0 -53.18 -56.21 18.21 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -61.03 2.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.007 0.432 . . . . 0.0 111.532 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 54.0 tp -47.99 -45.28 31.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -77.35 -49.26 15.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.917 0.389 . . . . 0.0 111.09 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.4 t80 -49.88 -61.09 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.537 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.18 -50.59 73.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 111.115 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -54.45 -60.76 2.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.433 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 56' ' ' TRP . 10.3 m-85 -61.2 -59.88 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 70.6 t -42.4 -52.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.9 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -65.15 -25.24 67.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.76 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' PHE . 56.6 t0 -85.95 -69.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.342 -178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 42' ' ' CYS . 1.5 pt -60.2 -43.09 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -122.82 79.97 49.42 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 121.299 0.571 . . . . 0.0 110.983 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -79.79 -23.23 7.03 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -119.55 1.15 11.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 68.2 m-85 -146.69 64.37 9.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.539 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -71.54 1.83 5.19 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.942 2.428 . . . . 0.0 112.201 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -63.77 -46.9 83.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -106.35 -79.02 0.57 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.472 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.76 117.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.66 149.37 45.52 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.439 ' CG2' H142 ' A' ' 201' ' ' MYR . 2.0 pp -68.76 132.77 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -135.44 144.42 46.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.1 mt -97.18 -41.07 10.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.593 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.83 -46.69 71.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.928 0.394 . . . . 0.0 111.248 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . 72.0 mmt-85 -70.93 -66.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.79 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.627 ' CZ3' ' CE2' ' A' ' 82' ' ' TYR . 1.3 t90 -42.12 -25.2 0.06 Allowed 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' ARG . 57.1 ttp180 -73.03 -45.17 59.19 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.14 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' ARG . 93.8 mtt-85 -64.15 -54.52 32.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -24.03 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.764 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -45.49 67.81 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.1 t70 -70.15 -42.84 71.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.991 0.424 . . . . 0.0 110.6 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -49.81 -65.01 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.78 -48.21 77.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.69 -61.31 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.193 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 61' ' ' ASP . 12.4 t70 -52.2 -30.4 27.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.401 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -77.26 -45.28 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.87 -40.6 96.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.462 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -77.68 -62.14 1.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 40.6 m -45.05 -27.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.3 -53.44 43.93 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.598 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 123.53 68.75 0.22 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.508 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.8 Cg_endo -77.93 161.24 30.16 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.987 2.458 . . . . 0.0 112.384 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -101.48 0.52 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -124.17 27.91 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.88 101.06 0.24 Allowed Pre-proline 0 C--O 1.236 0.344 0 O-C-N 123.905 0.753 . . . . 0.0 109.866 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -81.75 153.71 17.52 Favored 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 122.775 2.317 . . . . 0.0 112.59 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -79.31 -9.9 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -50.64 -22.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.5 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.94 -61.79 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -44.78 -44.95 9.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.705 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.511 ' CB ' HH22 ' A' ' 22' ' ' ARG . 11.2 p -61.23 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 25.5 t80 -53.03 165.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.656 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 75.95 -65.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.24 -41.14 98.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.32 -41.11 94.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.7 mm -55.37 -46.3 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.318 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.1 tmtt? -64.5 -58.04 7.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.184 0.516 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 26.9 tp10 -57.52 -26.95 62.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.532 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 15' ' ' LEU . 9.0 mt -65.45 -55.97 15.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 87' ' ' LYS . 5.8 tt -51.81 -35.48 17.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -57.71 -62.84 1.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.224 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.559 ' NZ ' ' OE2' ' A' ' 88' ' ' GLU . 60.8 mttp -63.08 -38.63 91.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.678 ' HZ1' H101 ' A' ' 201' ' ' MYR . 40.0 tttt -56.02 -15.2 3.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.515 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 96' ' ' ASN . 47.9 mm-40 -45.93 -7.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.588 ' H ' ' C ' ' A' ' 93' ' ' LYS . 58.1 t -43.8 -17.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.552 ' H ' ' HD3' ' A' ' 97' ' ' PRO . 0.3 OUTLIER 88.09 63.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 O-C-N 123.877 0.736 . . . . 0.0 111.271 179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.552 ' HD3' ' H ' ' A' ' 96' ' ' ASN . 17.7 Cg_endo -89.75 -147.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 123.123 2.549 . . . . 0.0 112.036 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.554 ' HB2' ' H32' ' A' ' 201' ' ' MYR . 65.7 tp60 -63.72 -29.13 70.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.332 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.4 t -51.52 -45.95 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 71.8 mmm -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -66.53 -53.66 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.455 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.99 -16.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.114 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t -95.74 -51.42 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.576 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.16 -1.77 3.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.937 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -110.86 -57.65 2.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.661 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -62.29 -40.03 94.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.391 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -119.79 83.67 2.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -72.93 161.25 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.7 tt -63.19 -33.53 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.57 109.81 14.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 57.8 pttt -162.86 -166.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.8 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -45.02 -44.25 9.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.563 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.62 -38.57 90.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.478 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' A' ' 111' ' ' LYS . 23.3 t -71.24 159.03 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.24 -38.98 92.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.725 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 p -124.28 152.43 43.05 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 111' ' ' LYS . 97.3 m-20 -134.55 5.23 3.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.706 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.43 -40.9 98.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 55.14 -107.86 0.4 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -105.49 135.33 47.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.58 -44.32 87.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -79.92 124.45 28.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -112.15 140.95 46.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -110.32 155.01 22.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.55 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.678 H101 ' HZ1' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' LEU . 75.1 mt-30 -45.43 -49.16 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.515 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' OE2' ' H81' ' A' ' 201' ' ' MYR . 83.7 tt0 -43.08 -16.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.978 0.418 . . . . 0.0 110.852 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.1 tt -57.29 -43.31 83.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.023 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -57.49 -45.59 84.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.15 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.91 -39.46 93.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.056 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.754 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 83.3 t60 -60.78 -35.17 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.241 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.78 -62.59 1.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.035 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -51.27 -43.84 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.023 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 92' ' ' LYS . 5.2 m-85 -60.98 -51.83 67.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 30' ' ' ASP . 2.4 t -47.35 -41.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.194 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -70.95 -35.37 72.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -68.84 -43.4 75.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.05 -40.74 98.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.879 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.29 -38.37 89.1 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.952 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' THR . 85.7 mt-30 -62.51 -41.99 99.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.626 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -58.29 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.62 -26.09 66.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 110.031 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -64.74 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 17' ' ' GLN . 56.5 p -70.24 -4.82 23.6 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.901 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.56 4.74 51.88 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.585 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.83 0.29 84.52 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.5 p -63.6 145.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.358 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 13.7 ptmt -53.82 -164.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.43 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -107.71 101.2 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' CE ' HD11 ' A' ' 32' ' ' LEU . 66.6 tttt -123.61 166.53 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.396 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -91.04 131.28 36.73 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.134 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.62 -41.65 13.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.796 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 10.7 t0 -53.63 -50.45 65.68 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.449 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.1 mt -62.45 -57.47 11.13 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.399 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CE ' ' A' ' 27' ' ' LYS . 17.4 mt -57.17 -44.13 83.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.354 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.797 ' NZ ' H122 ' A' ' 201' ' ' MYR . 72.5 tttt -74.27 -51.89 13.94 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 38' ' ' VAL . 70.3 t80 -52.96 -64.87 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.421 -0.511 . . . . 0.0 110.439 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.93 -60.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.18 -58.15 9.89 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.616 ' CE1' ' NE1' ' A' ' 56' ' ' TRP . 0.1 OUTLIER -56.56 -62.88 1.42 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -177.067 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.675 HG11 ' CE1' ' A' ' 34' ' ' PHE . 5.2 m -51.52 -37.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.894 -177.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 38' ' ' VAL . 61.0 mttp -81.31 -22.35 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.205 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' ' CG1' ' A' ' 59' ' ' VAL . 66.6 t0 -78.28 -66.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.051 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' H ' ' A' ' 52' ' ' ASP . 94.8 mt -64.52 -43.14 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.574 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.93 78.97 16.77 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.311 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.67 -18.8 10.36 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.494 2.129 . . . . 0.0 112.268 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' O ' ' CD1' ' A' ' 45' ' ' PHE . 1.6 m-90 -120.14 1.3 10.83 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.385 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 8.4 m-85 -151.27 63.16 5.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.6 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.51 2.79 6.49 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 123.251 2.634 . . . . 0.0 112.174 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -66.51 -42.81 86.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' GLY . 28.1 tt0 -123.12 10.31 9.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.155 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' GLU . . . -28.14 106.6 0.01 OUTLIER Glycine 0 N--CA 1.469 0.869 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 p -97.43 170.35 9.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.485 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.5 pp -90.58 132.93 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.454 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' CG ' HH11 ' A' ' 55' ' ' ARG . 95.0 m-20 -137.83 141.71 40.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.276 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.3 -42.07 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.12 -46.77 76.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.485 HH11 ' CG ' ' A' ' 52' ' ' ASP . 36.8 mtm-85 -70.17 -63.96 0.98 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.616 ' NE1' ' CE1' ' A' ' 37' ' ' PHE . 50.3 t90 -43.99 -30.52 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.92 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.08 -46.29 62.14 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.515 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -63.61 -52.67 59.87 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.061 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 40' ' ' ASP . 61.9 t -73.32 -22.91 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.71 -47.71 59.98 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.3 t70 -69.81 -39.61 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.785 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 73.8 m -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.653 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -63.71 -43.96 95.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.09 -61.02 2.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' ASP . 46.1 t0 -50.92 -25.18 4.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.117 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -84.13 -42.43 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.688 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -61.51 -43.41 98.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' PHE . 34.8 t30 -69.81 -59.97 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.0 m -49.42 -16.98 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.204 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 70' ' ' PHE . 87.9 t80 -86.8 6.53 31.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.78 72.26 0.54 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -78.2 160.45 29.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.858 2.372 . . . . 0.0 112.167 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -100.7 -6.42 25.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -119.03 31.35 6.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.036 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -47.15 102.62 0.32 Allowed Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.41 144.05 12.67 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.417 2.078 . . . . 0.0 113.013 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -27.68 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.435 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.43 -23.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.322 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.26 -62.19 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.051 0.453 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -46.52 -40.69 13.01 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.409 -0.517 . . . . 0.0 110.557 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 p -59.52 -44.19 93.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.672 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' ASN . 9.8 m-85 -57.16 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.467 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 47.1 t90 64.0 -67.59 0.1 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 82' ' ' TYR . 33.3 m-80 -60.62 -42.1 96.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.465 . . . . 0.0 110.384 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.54 -33.41 75.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.615 179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -58.11 -42.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tttt -65.42 -55.13 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.009 -0.677 . . . . 0.0 110.634 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -61.51 -23.65 66.07 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.507 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.39 -52.03 44.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.074 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.3 tt -53.92 -36.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.29 0.567 . . . . 0.0 109.582 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -57.55 -55.44 34.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.263 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 98.2 mttt -60.69 -37.83 82.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.185 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.524 ' O ' ' N ' ' A' ' 95' ' ' VAL . 13.3 mmtt -59.61 -15.74 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.982 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.07 -10.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.513 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 93' ' ' LYS . 10.3 t -49.43 -66.26 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.971 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.472 ' OD1' ' SD ' ' A' ' 100' ' ' MET . 5.2 m-20 160.49 66.59 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.67 0 CA-C-O 121.187 0.517 . . . . 0.0 109.918 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -93.69 -167.31 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 123.496 2.797 . . . . 0.0 112.013 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -63.49 -23.91 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.175 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -59.48 -43.48 90.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.996 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.472 ' SD ' ' OD1' ' A' ' 96' ' ' ASN . 63.3 ttp -65.92 -34.32 77.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.219 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.42 78.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.017 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -51.14 -20.47 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.414 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -87.36 -52.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.32 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -36.12 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.079 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -66.36 -52.58 45.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.565 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -62.61 -40.38 96.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.392 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -136.23 88.06 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.036 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.11 151.71 46.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.447 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 114' ' ' SER . 13.3 tt -64.09 -25.8 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.756 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.758 HD13 ' OE2' ' A' ' 119' ' ' GLU . 62.1 mt -89.7 109.38 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.185 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 114' ' ' SER . 45.0 pttt -175.05 175.07 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.631 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.8 t -60.13 -42.51 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -59.05 -39.86 83.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.174 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ILE . 4.8 p -73.93 -175.41 2.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.214 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' SER . 87.4 mt-30 -36.37 -91.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 p -139.69 149.45 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.715 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -70.79 -33.16 70.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.053 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.43 -31.96 73.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.758 ' OE2' HD13 ' A' ' 110' ' ' LEU . 82.0 mt-10 60.36 98.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -99.11 136.33 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.251 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -122.97 146.47 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.512 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -126.51 142.92 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -103.8 136.18 43.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -111.16 158.96 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.676 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.667 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.797 H122 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.561 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.4 mt-30 -46.88 -47.45 21.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.56 0.219 . . . . 0.0 110.494 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' HB3' ' H52' ' A' ' 201' ' ' MYR . 46.3 tp10 -42.7 -17.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.084 0.468 . . . . 0.0 110.362 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.8 tt -56.59 -42.89 79.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -57.16 -44.73 83.73 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.075 0.464 . . . . 0.0 110.44 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -62.93 -36.98 85.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.62 -41.36 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.153 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -59.54 -62.63 1.74 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.307 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -47.17 -45.98 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.463 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.92 -50.2 74.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.077 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -44.99 -39.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.15 -39.56 82.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.429 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.72 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.72 -41.43 97.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.036 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -61.65 -40.46 95.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -56.61 -46.9 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.082 0.468 . . . . 0.0 110.702 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.799 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.47 -32.66 73.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 0.0 110.554 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -59.42 -31.25 69.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.803 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 17' ' ' GLN . 66.8 p -74.14 -9.99 59.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.803 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -89.32 -5.21 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 72.07 2.3 52.3 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.3 p -63.8 64.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.5 ptmt 34.8 -162.94 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.546 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.9 t -110.57 97.8 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.517 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' CE ' HD11 ' A' ' 32' ' ' LEU . 83.5 tttt -119.57 146.91 45.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.29 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -75.68 133.58 40.77 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.511 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.08 -42.74 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.562 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 64.6 t0 -46.73 -48.87 20.29 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.993 -178.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.53 -60.53 3.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 ' CE ' ' A' ' 27' ' ' LYS . 89.6 mt -47.22 -47.94 24.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.641 -179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.61 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 21.9 mmtt -74.78 -48.24 26.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.765 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' O ' HG23 ' A' ' 38' ' ' VAL . 78.5 t80 -51.77 -64.33 0.85 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.28 -50.91 71.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.395 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 19.7 t0 -51.34 -60.31 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.557 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 3.4 m-85 -64.06 -50.45 68.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.702 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 34' ' ' PHE . 46.9 t -48.09 -60.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.96 -45.08 83.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.281 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 6.3 t0 -60.84 -69.1 0.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.305 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 50' ' ' THR . 91.7 mt -62.41 -42.14 94.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -121.62 79.78 39.11 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-O 121.406 0.622 . . . . 0.0 110.909 -179.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -81.27 -23.74 4.98 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.613 2.208 . . . . 0.0 112.561 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -119.51 -4.14 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -143.74 73.06 17.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 2.52 8.18 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.343 2.695 . . . . 0.0 111.927 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -64.42 -48.91 73.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -102.18 -79.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.707 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.32 118.39 0.07 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.2 p -122.07 167.74 12.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.757 0.313 . . . . 0.0 110.488 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -90.83 124.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.472 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -136.1 139.1 42.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.954 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 86' ' ' ILE . 76.3 mt -93.85 -38.46 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.728 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -45.54 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 110.562 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 57' ' ' ARG . 36.9 ttm180 -68.05 -65.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.481 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -42.5 -25.36 0.08 Allowed 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.073 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.2 ttp180 -74.19 -46.14 43.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.933 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.8 mtp85 -63.67 -51.61 64.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.26 -22.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.3 -47.75 56.32 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 65' ' ' ASP . 16.8 t70 -67.91 -41.2 83.0 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.663 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -51.25 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.815 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.18 -46.61 88.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.802 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.93 -62.43 1.72 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.033 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.6 t0 -51.32 -25.0 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.479 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -82.42 -42.69 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' A' ' 72' ' ' PRO . 79.6 t80 -61.51 -42.38 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.425 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -70.13 -58.85 3.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.991 0.424 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.0 m -51.14 -19.98 1.34 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.0 t80 -81.39 3.41 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.78 72.41 0.55 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 60.2 Cg_endo -77.34 159.24 32.99 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 123.016 2.477 . . . . 0.0 112.288 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -102.12 -3.96 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.651 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -121.07 30.22 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.4 p -46.35 102.68 0.32 Allowed Pre-proline 0 C--O 1.235 0.34 0 O-C-N 123.709 0.631 . . . . 0.0 110.125 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.91 152.27 16.74 Favored 'Trans proline' 0 N--CA 1.487 1.119 0 C-N-CA 122.921 2.414 . . . . 0.0 112.601 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -79.34 -7.28 10.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.724 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.04 -20.89 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.456 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -63.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -43.76 -44.38 6.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.531 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -60.58 -43.43 97.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.71 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -55.71 164.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.12 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.71 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.1 t90 78.84 -65.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.223 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.9 -41.83 96.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD23 ' CD ' ' A' ' 88' ' ' GLU . 79.8 mt -65.9 -41.02 92.03 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG12 ' A' ' 53' ' ' ILE . 20.9 mm -50.63 -51.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.715 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.59 -53.92 47.32 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.25 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' HD23 ' A' ' 85' ' ' LEU . 1.2 pt-20 -57.67 -25.81 60.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD21 H121 ' A' ' 201' ' ' MYR . 7.8 tp -61.74 -59.91 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.635 -178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 5.7 tt -53.59 -36.86 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.609 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.416 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 85.5 m-20 -58.34 -65.21 0.69 Allowed 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.498 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.66 -15.55 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.534 ' HD2' H111 ' A' ' 201' ' ' MYR . 8.2 mtpt -89.21 -11.66 43.05 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -51.86 -11.08 0.13 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -47.63 -66.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -178.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' H ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER 166.32 66.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.914 0.388 . . . . 0.0 110.812 178.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 37.4 Cg_endo -91.48 -164.96 0.15 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.165 2.577 . . . . 0.0 112.086 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.77 -26.37 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.203 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.89 -43.23 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.044 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.5 ttm -66.09 -35.63 81.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.076 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.89 75.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -20.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.107 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.47 -53.12 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.14 72.27 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -70.56 -52.28 22.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.7 m -61.09 -40.84 95.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -132.24 83.11 2.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.618 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.35 168.67 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.554 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.8 pt -86.58 -8.21 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.712 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 110' ' ' LEU . 4.4 mm? -61.9 -42.05 98.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.779 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' SER . 27.1 pttt -71.02 -29.58 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.37 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.1 -149.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.932 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -62.54 -40.08 95.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 111' ' ' LYS . 86.0 p -79.48 173.15 12.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -88.61 -3.6 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.494 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 p -130.96 158.49 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 110' ' ' LEU . 84.4 m-20 -72.51 -23.21 60.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.17 -39.79 93.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 58.59 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -111.48 135.21 52.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -113.16 136.74 52.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -73.42 132.46 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -120.89 129.61 53.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -104.87 144.92 31.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 86.1 t60 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.535 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.534 H111 ' HD2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 5' ' ' LEU . 80.8 mt-30 -48.43 -43.66 34.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.625 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -46.81 -11.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 tt -49.31 -37.56 24.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -58.9 -44.3 91.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.424 HE22 ' HB ' ' A' ' 95' ' ' VAL . 57.6 tt0 -61.9 -37.9 86.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.769 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 81.1 t60 -58.16 -39.61 79.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.26 -64.34 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -46.54 -47.98 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.4 m-85 -61.54 -53.51 55.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.527 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -42.75 -40.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.13 -37.52 83.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -64.87 -44.31 90.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -62.07 -40.26 95.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.56 -43.6 96.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' THR . 86.6 mt-30 -56.78 -44.68 82.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.24 48.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.592 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' CD2' ' NH2' ' A' ' 22' ' ' ARG . 53.6 mt -65.09 -31.92 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -59.85 -27.54 66.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.554 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 17' ' ' GLN . 63.2 p -79.82 -4.46 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' NH2' ' CD2' ' A' ' 19' ' ' LEU . 97.3 mtt180 -95.42 -2.23 49.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.525 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 71.56 -2.34 23.23 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.836 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.5 p -63.26 67.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.327 . . . . 0.0 110.629 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' O ' ' A' ' 24' ' ' VAL . 17.3 ptmt 35.02 -167.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.571 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.76 106.71 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.546 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD3' HD22 ' A' ' 32' ' ' LEU . 79.3 tttt -117.87 154.98 30.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.0 133.73 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.23 -39.86 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.531 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.6 t70 -52.64 -59.26 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.91 -61.02 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' HD3' ' A' ' 27' ' ' LYS . 58.3 tp -45.65 -46.47 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.823 ' NZ ' H122 ' A' ' 201' ' ' MYR . 75.6 tttt -77.68 -49.43 14.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 38' ' ' VAL . 63.3 t80 -49.88 -62.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -58.71 -52.77 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' OD2' ' C ' ' A' ' 36' ' ' ASP . 62.5 t0 -51.76 -60.53 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.74 -52.28 63.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.635 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 34' ' ' PHE . 48.8 t -47.81 -59.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -66.4 -43.32 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -60.72 -71.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.14 -42.82 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.99 80.2 34.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 -178.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.19 -19.92 8.94 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.81 2.34 . . . . 0.0 112.096 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -125.42 -2.92 7.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -140.78 68.77 30.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -77.18 2.42 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.789 2.326 . . . . 0.0 112.1 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.11 -51.72 66.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -121.63 -83.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 102.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 p -86.47 168.34 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.556 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.587 HG21 H141 ' A' ' 201' ' ' MYR . 1.7 pp -87.97 128.33 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -133.85 140.9 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -91.34 -33.99 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.541 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.75 -45.08 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.531 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 58' ' ' ARG . 78.8 mtp85 -71.01 -68.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.459 ' O ' ' CE3' ' A' ' 56' ' ' TRP . 14.9 t90 -38.36 -27.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttp180 -74.86 -45.69 41.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 55' ' ' ARG . 99.6 mtt180 -63.85 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.0 -25.04 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -45.4 79.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 65' ' ' ASP . 23.8 t70 -70.2 -40.84 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -51.19 -67.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -61.56 -46.49 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.673 HE21 HD21 ' A' ' 68' ' ' ASN . 62.1 tp60 -63.64 -62.06 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 61' ' ' ASP . 41.4 t0 -53.8 -23.49 12.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -83.77 -43.43 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 69.3 t80 -62.54 -38.67 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.673 HD21 HE21 ' A' ' 64' ' ' GLN . 96.4 m-20 -72.99 -58.7 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.9 m -50.95 -18.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 88.9 t80 -84.94 4.2 34.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.0 75.0 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.8 Cg_endo -79.65 164.83 23.11 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.733 2.289 . . . . 0.0 112.162 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -100.6 -3.02 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -127.8 33.41 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.599 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 11.3 p -44.57 102.22 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -82.15 141.97 11.93 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.858 2.372 . . . . 0.0 112.134 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.07 -19.3 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -47.36 -21.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.586 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.92 -61.58 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -46.51 -42.52 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -59.83 -43.76 94.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' ASN . 4.2 m-85 -56.55 177.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.62 -65.95 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' TYR . 78.6 m-20 -61.17 -41.5 96.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD23 ' CD ' ' A' ' 88' ' ' GLU . 45.4 mt -67.6 -35.64 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mm -55.65 -43.03 71.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.2 tmtt? -67.49 -60.44 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.592 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -58.43 -18.67 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.22 -55.51 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.8 tt -52.56 -33.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -60.57 -63.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.577 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -62.85 -40.94 99.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.671 ' HZ2' H101 ' A' ' 201' ' ' MYR . 61.7 tttt -65.94 -15.35 62.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.25 -1.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.608 ' H ' ' C ' ' A' ' 93' ' ' LYS . 5.4 t -42.1 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.578 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER 165.63 60.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 178.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.9 Cg_endo -90.32 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.81 2.34 . . . . 0.0 112.112 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -61.59 -18.54 59.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.545 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.83 -44.35 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 74.8 mtp -69.86 -31.96 70.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.24 -53.7 40.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.06 -22.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.53 -53.51 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -36.62 72.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.7 -49.45 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m -63.88 -40.45 96.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -138.21 84.88 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.44 153.37 27.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.672 HG23 ' HG ' ' A' ' 110' ' ' LEU . 9.4 tt -64.72 -31.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.672 ' HG ' HG23 ' A' ' 109' ' ' ILE . 91.3 mt -101.77 127.02 48.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.466 ' HG3' ' H ' ' A' ' 114' ' ' SER . 44.4 pttt -175.81 -179.0 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.587 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.9 t -60.87 -44.01 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.91 -39.55 92.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.466 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 78.6 p -63.38 161.54 13.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.614 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.11 -43.83 97.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.2 p -100.46 118.2 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.594 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 111' ' ' LYS . 4.7 m-20 -112.16 10.87 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 119' ' ' GLU . 82.2 mt -61.05 -40.61 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 118' ' ' LEU . 93.5 mt-10 56.24 161.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -112.6 131.81 55.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -111.05 143.46 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -79.25 129.73 34.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -123.82 126.43 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.67 150.95 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.525 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.823 H122 ' NZ ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.6 mt-30 -50.99 -42.24 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.88 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.5 tt -50.58 -38.41 45.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.345 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -55.35 -38.29 68.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.382 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.48 -39.59 92.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.708 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 86.4 t60 -55.99 -38.25 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.099 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -65.3 -64.54 0.84 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.202 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -46.0 -48.45 16.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -61.24 -51.67 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.783 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.77 -41.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.329 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -66.01 -37.2 85.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.28 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -66.23 -42.48 88.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.4 mm? -61.92 -39.49 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -62.0 -42.37 99.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 21' ' ' THR . 88.7 mt-30 -55.32 -50.95 68.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.963 0.411 . . . . 0.0 110.633 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -56.72 15.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.043 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.85 -36.16 80.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -61.63 -16.54 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 17' ' ' GLN . 26.2 p -85.53 -3.81 58.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.289 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -93.4 1.54 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.664 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.27 0.25 89.57 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -62.64 147.81 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.402 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' VAL . 3.2 ptmt -53.53 -168.22 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.676 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.17 101.96 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HE2' HD13 ' A' ' 32' ' ' LEU . 39.6 tttp -125.91 144.63 50.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.365 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.49 136.39 45.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.58 -41.59 13.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.534 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 24.4 t0 -54.48 -55.8 25.32 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.748 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.23 -60.65 3.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.783 0.325 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD13 ' HE2' ' A' ' 27' ' ' LYS . 57.7 tp -48.33 -44.5 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.954 ' HZ1' H131 ' A' ' 201' ' ' MYR . 78.1 tttt -78.71 -49.37 13.21 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.071 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 84.5 t80 -51.66 -59.13 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.605 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -52.19 66.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.709 0.29 . . . . 0.0 110.855 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 98.4 m-20 -54.44 -59.57 4.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.076 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.53 -58.86 6.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.452 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 50.4 t -43.64 -59.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.71 -43.55 96.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.517 ' OD2' HG11 ' A' ' 59' ' ' VAL . 67.4 t0 -62.15 -70.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.96 -41.66 89.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -120.92 81.15 34.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 111.127 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -82.99 -20.8 5.05 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 122.81 2.34 . . . . 0.0 112.432 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -117.02 -6.8 11.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.986 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 45' ' ' PHE . 10.7 p90 -148.16 76.71 10.23 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -80.47 4.3 6.98 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.257 2.638 . . . . 0.0 112.092 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -63.62 -50.81 67.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.559 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -101.29 -78.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.298 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.17 104.34 0.05 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -105.6 169.82 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.795 HG21 H142 ' A' ' 201' ' ' MYR . 1.8 pp -90.71 123.45 42.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -131.26 141.67 50.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 mt -91.83 -37.28 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.4 -47.95 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' ARG . 83.6 mtp180 -69.46 -66.88 0.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.644 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -41.6 -28.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -74.87 -45.48 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.712 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' ARG . 44.0 ttm180 -64.86 -54.84 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 -178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 ' OD2' ' A' ' 40' ' ' ASP . 62.0 t -73.27 -24.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -43.03 92.23 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 22.2 t70 -71.18 -38.86 72.12 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.344 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.3 m -50.46 -66.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -63.37 -46.13 87.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -62.78 -61.82 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.5 t0 -52.7 -21.49 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.418 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -85.42 -41.4 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.98 -40.43 96.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.266 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -71.66 -57.2 4.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 25.9 m -52.95 -16.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 77.5 t80 -85.51 3.13 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.774 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.16 71.16 0.77 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.99 159.33 30.67 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 111.996 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -101.16 1.54 39.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.965 0.412 . . . . 0.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -126.61 26.97 6.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.615 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.0 p -43.98 100.8 0.23 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.284 0.564 . . . . 0.0 110.125 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.6 150.95 19.34 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.962 2.441 . . . . 0.0 112.505 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.1 -5.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.438 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.0 mt -52.47 -24.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.55 -61.59 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -43.79 -46.91 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.7 p -59.38 -45.17 92.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -55.06 163.35 1.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.423 179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.637 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 t90 79.18 -64.69 0.23 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 110.159 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.45 -42.99 99.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.628 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.67 -41.23 98.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -52.53 -47.21 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.524 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.5 tmtp? -67.1 -59.37 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.729 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -54.98 -24.86 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.765 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD13 H131 ' A' ' 201' ' ' MYR . 9.9 mt -66.71 -55.39 15.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.333 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.3 tt -53.01 -35.82 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.481 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 84.9 m-20 -59.39 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.365 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.819 ' O ' HG23 ' A' ' 95' ' ' VAL . 66.0 mmtt -53.02 -33.92 53.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.493 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.791 ' NZ ' ' H81' ' A' ' 201' ' ' MYR . 5.1 mmtt -61.33 -21.71 64.24 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.575 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -45.68 -13.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.953 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 92' ' ' LYS . 60.7 t -46.51 -68.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.736 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.537 ' ND2' HG12 ' A' ' 95' ' ' VAL . 1.9 p30 165.79 65.34 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.218 0.532 . . . . 0.0 110.592 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -92.06 -170.38 0.31 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 123.418 2.745 . . . . 0.0 112.307 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -67.61 -24.98 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.08 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.53 -44.54 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.502 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 88.1 mtp -71.38 -33.08 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.184 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -62.32 -51.23 68.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.148 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 106' ' ' THR . . . -50.18 -16.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.978 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.3 t -98.41 -53.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.419 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.65 -12.35 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -100.39 -55.19 2.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 102' ' ' ALA . 16.0 m -64.01 -40.53 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -136.2 93.99 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.305 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -67.19 142.77 56.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.5 pt -65.99 -27.06 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.74 HD22 ' OE1' ' A' ' 119' ' ' GLU . 94.0 mt -100.93 98.58 9.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.326 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 114' ' ' SER . 52.4 pttt -149.18 170.58 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.772 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.4 t -60.52 -44.68 95.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -53.82 -40.75 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.544 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 111' ' ' LYS . 32.3 m -110.37 114.44 27.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.489 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 62.39 -126.81 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.205 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.5 m -148.1 136.72 21.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.95 -34.29 77.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.552 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 118' ' ' LEU . 90.7 mt -63.2 -41.38 99.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.725 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.74 ' OE1' HD22 ' A' ' 110' ' ' LEU . 84.2 mt-10 59.3 156.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.357 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -116.37 136.92 52.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -58.44 -46.16 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -109.38 127.55 54.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -137.92 99.4 3.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -112.15 154.89 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.542 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.474 ' CD2' ' OXT' ' A' ' 125' ' ' HIS . 76.8 t60 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.438 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.954 H131 ' HZ1' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.9 mt-30 -47.04 -38.91 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 0.0 110.513 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' OE2' ' OE1' ' A' ' 7' ' ' GLN . 69.4 mm-40 -51.85 -6.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' A' ' 3' ' ' GLN . 4.0 tt -54.26 -44.12 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -60.59 -40.16 90.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.423 ' OE1' ' OE2' ' A' ' 4' ' ' GLU . 77.5 mt-30 -66.56 -39.02 88.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.736 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 82.5 t60 -61.4 -39.05 89.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.36 -62.95 1.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -48.02 -44.64 31.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.98 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -44.56 -37.49 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.45 -37.43 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.9 -40.85 91.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.4 mm? -63.56 -40.21 96.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.58 -40.43 94.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.53 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -58.01 -45.8 86.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.62 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.6 mt -62.34 -33.84 75.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.82 -26.83 64.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.562 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 17' ' ' GLN . 43.1 p -80.73 -8.3 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -87.69 2.2 51.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 0.46 87.09 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.4 p -63.22 146.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 110.6 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.2 ptmt -53.46 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.68 100.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.57 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 32' ' ' LEU . 82.3 tttt -121.78 148.34 44.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -74.09 132.1 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.65 -40.94 12.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.9 t70 -52.97 -56.91 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.552 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.33 -59.69 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' A' ' 27' ' ' LYS . 52.2 tp -47.19 -44.99 22.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.511 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' NZ ' H122 ' A' ' 201' ' ' MYR . 76.1 tttt -78.24 -50.58 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.9 t80 -49.8 -63.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.583 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.06 -52.55 65.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -52.91 -59.89 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.46 -53.86 48.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 -178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' PHE . 52.5 t -45.84 -58.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -65.2 -42.77 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.481 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' OD2' HG11 ' A' ' 59' ' ' VAL . 54.7 t0 -62.13 -71.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.598 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.23 -43.92 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.99 81.62 27.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 -178.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.24 -19.78 7.69 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.808 2.338 . . . . 0.0 112.066 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.72 -1.11 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.514 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.71 68.54 19.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -77.27 1.83 8.32 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.859 2.372 . . . . 0.0 112.036 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -61.75 -52.89 62.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -121.79 -81.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.85 98.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 p -80.47 170.02 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.558 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.773 HG21 H143 ' A' ' 201' ' ' MYR . 1.5 pp -87.99 130.47 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 99.9 m-20 -133.46 142.79 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.5 mt -91.02 -33.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.31 -48.16 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.527 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' ARG . 84.4 mtt85 -70.62 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' ARG . 59.6 t-105 -37.91 -34.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.493 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -74.29 -42.89 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' ARG . 41.4 ttm180 -65.69 -58.6 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG11 ' OD2' ' A' ' 40' ' ' ASP . 58.6 t -69.34 -23.44 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.583 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.36 -46.14 65.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ASP . 9.8 t70 -69.26 -37.55 77.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.8 m -52.99 -67.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.2 -44.79 95.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.526 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -64.25 -63.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ASP . 21.9 t0 -54.36 -20.0 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.597 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -86.46 -41.67 14.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 84.3 t80 -62.75 -38.9 92.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -71.73 -57.46 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.1 m -50.52 -17.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 89.5 t80 -84.15 2.82 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.96 67.87 1.99 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.444 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.5 Cg_endo -77.77 160.02 31.19 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.844 2.363 . . . . 0.0 112.115 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -100.89 1.93 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -127.07 29.85 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.3 p -44.64 102.57 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.595 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.12 143.99 13.07 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.842 2.361 . . . . 0.0 112.062 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 77' ' ' VAL . 14.9 p -78.81 -11.15 13.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.67 -22.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.536 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.33 -63.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.538 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -47.54 -42.51 23.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.534 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -58.84 -45.23 90.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 84' ' ' ASN . 5.6 m-85 -54.62 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.632 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 44.7 t90 64.06 -63.72 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 82' ' ' TYR . 44.1 m-20 -61.45 -41.04 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 88' ' ' GLU . 84.8 mt -68.49 -34.18 75.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.0 mm -56.71 -42.21 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -66.69 -61.33 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.485 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.49 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.25 -18.01 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.582 HD22 H132 ' A' ' 201' ' ' MYR . 6.9 mt -72.07 -54.15 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.544 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.4 tt -55.13 -29.13 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -64.07 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.507 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -61.21 -42.18 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.592 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 95' ' ' VAL . 69.7 tttt -62.6 -16.97 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.73 -2.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.587 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.1 t -43.9 -69.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 -178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.613 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t30 168.77 59.56 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.613 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.7 Cg_endo -90.84 -156.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.703 2.269 . . . . 0.0 112.155 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HB2' ' H32' ' A' ' 201' ' ' MYR . 61.0 tp60 -62.24 -20.44 64.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.12 -44.7 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.599 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtp -67.42 -31.7 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.489 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.47 -50.82 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.03 -20.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.522 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.43 -54.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.17 -37.71 75.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.532 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.11 -51.64 56.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.2 m -63.33 -40.79 98.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -134.39 83.74 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.551 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 110' ' ' LEU . 94.0 mt-10 -66.15 141.29 58.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.31 16.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 108' ' ' GLU . 85.7 mt -97.24 -0.92 45.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -106.2 141.62 37.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -105.75 -97.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.628 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -99.14 8.22 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.667 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 p -154.63 157.77 38.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.37 67.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.67 161.45 42.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.93 -1.24 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 120' ' ' HIS . 83.4 mt -62.54 -41.65 99.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.68 -89.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.546 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 118' ' ' LEU . 96.9 m-70 -116.08 131.9 56.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.32 147.13 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -119.79 136.89 54.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -119.3 128.27 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.558 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -104.39 159.62 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 75.5 m80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.613 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.773 H143 HG21 ' A' ' 51' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.543 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.0 mt-30 -52.68 -41.77 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.628 -179.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.59 -6.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 3' ' ' GLN . 2.6 tt -52.32 -34.32 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -59.12 -41.42 88.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.606 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.73 -38.84 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.556 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.469 ' HB2' ' H91' ' A' ' 201' ' ' MYR . 81.9 t60 -57.19 -36.99 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 178.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -64.71 -65.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -46.0 -47.9 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.2 m-85 -61.4 -51.51 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.611 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -44.07 -36.98 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -68.06 -39.06 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.5 mt-30 -64.02 -42.49 97.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.585 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -63.38 -40.29 96.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.325 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -63.77 -44.64 92.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 21' ' ' THR . 84.8 mt-30 -56.68 -43.67 80.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.69 -55.28 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.22 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.573 -179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.44 -21.68 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 17' ' ' GLN . 62.1 p -87.67 -2.12 58.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -92.93 7.89 42.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.515 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.0 -3.03 58.77 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.0 p -65.85 148.53 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.609 -179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 ptmt -52.49 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.37 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.64 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 32' ' ' LEU . 80.9 tttt -122.53 154.48 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.634 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.27 133.33 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.528 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -42.44 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 53.5 t0 -52.23 -57.49 9.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.055 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.02 -60.55 3.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -178.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 58.0 tp -46.71 -45.49 19.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.6 ' HZ3' H122 ' A' ' 201' ' ' MYR . 78.0 tttt -78.52 -51.18 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.3 t80 -49.61 -61.94 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -52.21 66.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' C ' ' OD2' ' A' ' 36' ' ' ASP . 61.2 t0 -52.41 -59.55 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -178.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -62.95 -55.4 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -178.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.8 t -42.92 -62.61 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 -179.187 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -63.33 -46.55 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.578 ' OD1' HG11 ' A' ' 59' ' ' VAL . 63.2 t0 -57.56 -71.65 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -178.178 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 50' ' ' THR . 87.3 mt -62.69 -43.16 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.99 80.02 25.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 -179.267 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.01 -20.03 6.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.818 2.345 . . . . 0.0 112.102 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -120.41 -10.56 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 -177.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -139.46 73.55 35.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 -178.753 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.14 3.04 7.97 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.805 2.337 . . . . 0.0 112.162 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.61 -51.53 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -101.41 -77.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.99 114.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.6 p -126.93 161.78 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.55 179.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.709 ' CG2' H141 ' A' ' 201' ' ' MYR . 1.8 pp -80.49 130.51 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.572 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -135.39 141.2 45.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.71 -39.45 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -178.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.05 -47.74 70.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.7 mtt180 -68.03 -67.31 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CZ3' ' OD2' ' A' ' 40' ' ' ASP . 72.2 t-105 -38.48 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.602 179.11 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' ARG . 78.9 ttt-85 -72.0 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 60.2 ttp180 -67.5 -56.5 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.509 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.578 HG11 ' OD1' ' A' ' 40' ' ' ASP . 92.3 t -68.08 -26.86 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.72 83.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.1 t70 -68.05 -38.82 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.745 0.307 . . . . 0.0 110.569 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.4 m -51.56 -68.15 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.506 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.94 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.603 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.76 -62.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.7 t0 -51.34 -23.01 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.566 -179.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.13 -45.33 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 -179.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -58.86 -43.13 90.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -71.11 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.565 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.6 m -51.43 -17.47 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 85.0 t80 -84.55 2.22 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.28 73.88 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -79.26 161.35 25.99 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.784 2.323 . . . . 0.0 112.138 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -102.62 -3.13 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -125.22 33.62 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.706 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.6 p -44.72 101.86 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 -179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -83.4 148.1 12.81 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.8 2.333 . . . . 0.0 112.151 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 p -76.26 -15.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.0 mt -45.93 -22.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.67 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -43.06 -44.05 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 p -61.52 -43.22 99.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.624 179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.734 ' CD2' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -58.08 163.97 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.68 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.734 ' N ' ' CD2' ' A' ' 82' ' ' TYR . 1.5 t90 79.47 -68.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.623 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.581 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.12 -41.25 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.3 mm -54.34 -44.71 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.551 -178.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 90' ' ' ILE . 12.8 tttt -66.34 -61.02 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.582 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -55.73 -22.83 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.55 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.1 -57.25 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.516 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -53.55 -30.41 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.206 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -63.9 -65.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.564 -179.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.3 mttm -58.83 -42.16 88.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 178.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HD2' H131 ' A' ' 201' ' ' MYR . 81.7 tttt -60.22 -17.98 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -54.62 -6.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 92' ' ' LYS . 98.4 t -41.0 -67.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.552 -178.578 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.582 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 164.86 60.9 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 178.653 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.75 -160.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.86 2.373 . . . . 0.0 112.139 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -62.97 -21.12 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.49 -44.42 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 60.1 mmm -69.77 -29.55 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.75 -49.37 59.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.24 -17.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 10.7 t -91.86 -53.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 179.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.63 75.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 177.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -73.13 -57.92 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.9 m -61.28 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.516 -179.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -131.39 85.23 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.492 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.78 165.1 11.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.4 pt -91.57 -6.5 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 110' ' ' LEU . 96.8 mt -63.78 -41.75 97.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' SER . 50.0 pttt -61.34 -28.27 69.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.719 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.69 -142.32 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.32 -37.09 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 111' ' ' LYS . 3.8 p -91.63 -179.87 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -86.94 -13.43 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.542 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 118' ' ' LEU . 13.8 m -120.24 140.03 51.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -68.26 -34.66 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -62.41 -38.97 91.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -178.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 118' ' ' LEU . 94.7 mt-10 55.2 155.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -118.14 135.92 53.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.32 146.6 51.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -112.17 141.84 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -134.73 113.08 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -113.9 150.6 33.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.541 179.826 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.709 H141 ' CG2' ' A' ' 51' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 5' ' ' LEU . 90.1 mt-30 -48.65 -41.88 32.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.583 -179.496 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -42.56 -16.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.3 tt -51.14 -40.72 59.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -61.15 -36.28 79.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.72 -41.95 74.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.728 ' CD2' ' H91' ' A' ' 201' ' ' MYR . 11.8 t-160 -57.75 -36.98 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.5 -64.1 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.767 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -49.13 -46.3 44.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.287 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLN . 2.3 m-85 -61.55 -53.79 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.1 t -43.52 -37.13 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.9 -37.25 78.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.566 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.6 mt-30 -65.83 -41.92 91.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 -179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.66 -40.22 96.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.67 -179.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.49 -41.32 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.736 -179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.688 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.24 -47.67 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.57 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.98 -34.66 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.324 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -59.53 -22.57 61.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 17' ' ' GLN . 18.3 p -80.04 -5.44 55.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.612 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -91.85 -2.11 57.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.16 1.21 90.51 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.5 p -61.7 147.14 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.378 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.2 ptmt -53.29 -167.68 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.7 t -104.91 100.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.573 179.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CE ' HD22 ' A' ' 32' ' ' LEU . 84.6 tttt -120.61 149.24 42.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 179.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -76.68 132.25 39.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.558 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -88.83 -42.03 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.144 0.497 . . . . 0.0 110.975 179.32 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.9 t0 -53.1 -56.34 16.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.945 -178.167 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.05 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -178.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 27' ' ' LYS . 47.0 tp -46.46 -44.84 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.765 ' NZ ' H122 ' A' ' 201' ' ' MYR . 74.3 tttt -79.29 -49.19 12.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.398 -178.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 38' ' ' VAL . 84.6 t80 -53.09 -56.4 16.47 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.728 -178.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.77 -54.54 41.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 99.3 m-20 -51.45 -56.65 12.1 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -178.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.83 -52.83 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.804 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 34' ' ' PHE . 29.0 t -49.3 -58.86 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.669 -178.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -66.09 -44.8 83.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 65.8 t0 -60.29 -69.84 0.2 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.95 -178.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 50' ' ' THR . 96.5 mt -62.02 -42.02 93.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.274 -179.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -122.97 80.07 50.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 -179.421 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -81.03 -19.01 8.52 Favored 'Trans proline' 0 C--N 1.303 -1.859 0 C-N-CA 122.836 2.357 . . . . 0.0 112.163 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -120.16 -2.31 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.8 -178.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 65.4 m-85 -146.34 73.11 13.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.722 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.2 3.17 6.92 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.977 2.452 . . . . 0.0 112.348 -179.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -119.83 -79.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.31 92.28 0.05 OUTLIER Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 41' ' ' ILE . 6.5 p -84.16 163.73 19.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 110.525 179.626 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.548 HG21 H143 ' A' ' 201' ' ' MYR . 1.7 pp -78.4 126.74 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -129.24 141.73 51.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 mt -91.41 -36.8 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.92 -48.96 69.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.034 -178.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' ARG . 96.0 mtt-85 -69.74 -66.85 0.54 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 65.6 t-105 -39.77 -33.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.128 -179.114 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 83' ' ' TRP . 76.6 ttt180 -75.26 -43.47 51.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.945 0.402 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.0 ttm-85 -64.58 -58.4 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.53 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.24 -22.38 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.11 -43.65 70.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.2 t70 -71.37 -39.51 71.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.888 0.375 . . . . 0.0 110.686 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -51.36 -66.22 0.42 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.7 -46.75 86.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.421 ' NE2' ' HB1' ' A' ' 79' ' ' ALA . 56.7 tt0 -62.23 -63.09 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.779 -179.621 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' ASP . 31.1 t0 -53.99 -20.3 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -85.54 -41.92 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.78 -38.64 91.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -73.0 -54.71 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.749 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.2 m -50.41 -18.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 89.2 t80 -85.11 3.25 39.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.58 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.42 67.25 2.31 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.69 161.7 33.52 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.828 2.352 . . . . 0.0 112.324 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -102.31 3.5 38.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 179.095 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -126.2 26.1 6.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.732 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.2 p -46.43 103.24 0.34 Allowed Pre-proline 0 N--CA 1.455 -0.211 0 CA-C-O 121.3 0.572 . . . . 0.0 110.452 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -80.86 149.43 17.97 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.748 2.298 . . . . 0.0 112.51 -179.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.3 p -79.98 -13.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.477 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.405 ' O ' ' OG ' ' A' ' 81' ' ' SER . 60.8 mt -50.43 -23.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -178.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -58.29 -62.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -178.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -48.81 -44.4 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.532 -179.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 71.3 p -59.56 -39.64 84.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.653 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.6 OUTLIER -60.41 -176.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 57' ' ' ARG . 54.2 t90 63.16 -63.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 82' ' ' TYR . 5.9 m120 -60.94 -42.71 98.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.39 179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD23 ' CD ' ' A' ' 88' ' ' GLU . 80.0 mt -66.53 -35.57 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.648 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.9 mm -56.46 -41.49 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.28 -179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.2 tmtt? -68.14 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.718 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.3 pt-20 -58.62 -19.31 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.395 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.867 HD22 H132 ' A' ' 201' ' ' MYR . 6.3 mt -69.93 -55.26 10.13 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 87' ' ' LYS . 10.4 tt -54.06 -34.34 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.496 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 94.5 m-20 -59.44 -63.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 95' ' ' VAL . 98.7 mttt -60.33 -41.47 93.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.478 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.708 ' NZ ' H101 ' A' ' 201' ' ' MYR . 80.0 tttt -64.59 -15.13 60.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -54.15 -4.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 92' ' ' LYS . 47.9 t -43.69 -70.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.978 -177.488 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.621 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 t30 170.94 58.9 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.963 0.411 . . . . 0.0 110.613 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.2 Cg_endo -91.0 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.85 0 C-N-CA 122.694 2.262 . . . . 0.0 112.0 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -61.91 -26.1 67.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -43.9 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.41 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 72.2 mmm -68.7 -34.26 75.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.524 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.45 -51.95 60.5 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.6 -19.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.9 t -92.3 -52.8 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.262 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.42 68.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -82.29 -57.28 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.67 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.0 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.496 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -118.07 79.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.434 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 110' ' ' LEU . 97.4 mt-10 -66.51 140.72 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.5 pt -70.98 17.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 108' ' ' GLU . 90.6 mt -100.66 12.19 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.629 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -118.22 153.59 33.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.5 m -106.43 -131.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.97 -42.12 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.1 p -161.95 6.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.525 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -127.54 -172.26 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.578 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 p -77.14 159.64 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.485 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 110' ' ' LEU . 12.8 m-20 -65.08 -34.34 78.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 -179.28 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 118' ' ' LEU . 95.4 mt -63.25 -41.02 99.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.569 -179.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 58.89 20.17 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -65.87 -40.8 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.726 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -55.0 -38.67 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.757 -178.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -109.49 170.24 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -140.32 93.26 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -113.3 133.55 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 179.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.596 179.814 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.867 H132 HD22 ' A' ' 89' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.43 ' O ' ' O1 ' ' A' ' 201' ' ' MYR . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' LEU . 93.3 mm-40 -45.03 -38.53 4.93 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -179.518 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.442 ' OE2' ' H81' ' A' ' 201' ' ' MYR . 84.4 tt0 -42.1 -17.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.011 0.434 . . . . 0.0 110.405 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.9 tt -57.57 -42.2 82.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.471 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -60.0 -44.1 94.75 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.364 0.602 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -62.48 -40.17 95.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.106 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.834 ' ND1' H112 ' A' ' 201' ' ' MYR . 7.6 t60 -58.36 -42.47 87.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.046 0.45 . . . . 0.0 109.977 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -50.45 -58.94 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -51.31 -43.77 61.76 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.579 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.28 -51.19 70.36 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.356 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.0 -37.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.65 -43.97 65.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -65.61 -39.77 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.221 0.534 . . . . 0.0 110.822 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.58 -40.47 97.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.68 -37.12 85.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.135 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.25 -44.9 94.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.43 58.39 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 24' ' ' VAL . 47.8 mt -65.39 -27.07 68.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.051 0.453 . . . . 0.0 110.564 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.95 -27.78 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.539 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.2 p -83.01 -4.77 58.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' VAL . 97.0 mtt-85 -89.62 7.23 37.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.559 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 66.29 -5.13 2.27 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.579 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 24' ' ' VAL . 9.2 p -63.36 61.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' GLY . 16.3 ptmt 35.19 -161.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.452 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -112.29 101.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.525 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -115.42 148.45 39.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.41 135.04 35.64 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.637 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.84 -32.24 19.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.327 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' OD2' ' CD1' ' A' ' 34' ' ' PHE . 31.9 t0 -52.6 -60.15 3.6 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -177.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.97 -61.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.574 0.546 . . . . 0.0 111.844 -179.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.9 tp -44.76 -49.71 10.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HE2' H131 ' A' ' 201' ' ' MYR . 67.9 tttt -72.67 -46.58 53.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.997 0.427 . . . . 0.0 111.324 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.6 m-85 -50.06 -65.16 0.61 Allowed 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.358 -178.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.46 -57.16 11.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.642 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -52.41 -61.41 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.683 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.81 -53.68 54.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 34' ' ' PHE . 41.6 t -43.05 -53.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.263 0.554 . . . . 0.0 110.55 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -66.81 -35.57 80.37 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.081 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.551 ' OD2' ' CD1' ' A' ' 56' ' ' TRP . 26.0 t0 -65.39 -68.99 0.32 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.422 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -84.28 15.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.142 0.496 . . . . 0.0 110.803 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' SG ' ' C ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -165.98 64.56 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.896 0.855 . . . . 0.0 111.283 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.88 -35.61 1.37 Allowed 'Trans proline' 0 C--N 1.299 -2.047 0 C-N-CA 122.108 1.872 . . . . 0.0 112.82 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.87 -2.55 8.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.294 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -141.15 72.91 26.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.152 0.501 . . . . 0.0 110.949 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -76.1 4.95 4.86 Favored 'Trans proline' 0 C--N 1.302 -1.869 0 C-N-CA 123.674 2.916 . . . . 0.0 112.217 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -64.48 -49.85 69.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.397 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.96 -83.99 0.54 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.54 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.69 109.88 0.14 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.7 p -112.04 163.64 14.05 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.959 0.409 . . . . 0.0 110.59 -179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -84.05 125.57 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 -179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -139.0 140.93 38.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.241 179.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.8 mt -94.05 -40.74 11.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.59 -45.02 84.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 57' ' ' ARG . 94.8 mtt-85 -71.63 -65.86 0.7 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.057 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CD1' ' OD2' ' A' ' 40' ' ' ASP . 80.8 t90 -43.45 -25.44 0.15 Allowed 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 55' ' ' ARG . 42.3 ttm180 -75.34 -47.7 26.47 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 94.4 mtt-85 -61.23 -50.38 73.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.703 -179.18 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -77.04 -21.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.56 55.18 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 65' ' ' ASP . 19.0 t70 -71.4 -43.16 67.35 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 120.966 0.412 . . . . 0.0 110.655 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 83.5 m -49.76 -64.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.68 -47.9 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -63.98 -61.13 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -178.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 61' ' ' ASP . 39.0 t0 -52.91 -36.19 59.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.15 -43.1 75.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -66.1 -38.75 89.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.901 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.73 -61.11 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.16 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 27.8 m -44.99 -29.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.327 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -64.27 -51.83 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 119.09 69.57 0.33 Allowed Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 60.0 Cg_endo -79.67 163.3 24.0 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.086 2.524 . . . . 0.0 112.482 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -100.37 1.61 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.498 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -126.57 26.32 6.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.2 p -43.93 100.54 0.23 Allowed Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 123.797 0.685 . . . . 0.0 110.133 -178.198 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -82.17 151.87 16.05 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.838 2.359 . . . . 0.0 112.486 -179.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.84 -17.88 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.59 HG22 ' CD1' ' A' ' 82' ' ' TYR . 83.6 mt -48.41 -22.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.436 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 82' ' ' TYR . . . -53.29 -63.35 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.362 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -46.99 -50.04 19.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -64.33 -21.93 66.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.661 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CD1' HG22 ' A' ' 78' ' ' ILE . 1.7 m-85 -87.03 85.95 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER 160.81 -62.01 0.0 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 71.9 m-20 -60.84 -38.66 86.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.513 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 85' ' ' LEU . 90.4 mt -63.92 -37.83 88.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.609 179.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -53.83 -50.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -59.79 -53.45 57.79 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -60.21 -21.59 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.482 HD21 H143 ' A' ' 201' ' ' MYR . 12.3 tp -64.16 -58.63 6.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -178.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.44 -34.33 34.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -59.19 -65.7 0.63 Allowed 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.455 -178.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.06 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' NZ ' ' H92' ' A' ' 201' ' ' MYR . 84.1 tttt -60.51 -11.88 8.23 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.257 0.551 . . . . 0.0 110.369 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -59.64 -6.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -43.7 -67.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.102 -177.43 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.541 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 1.7 p30 167.75 60.95 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.265 0.555 . . . . 0.0 111.091 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.0 Cg_endo -90.85 -157.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.157 2.571 . . . . 0.0 111.934 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.34 -25.92 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.958 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.996 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.88 -32.81 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.299 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.24 -47.23 68.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.41 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.05 -19.44 0.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.073 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t -89.02 -52.83 10.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.082 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.76 88.81 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -65.44 -54.65 25.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.3 m -61.02 -41.35 96.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.449 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.469 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 79.7 mm-40 -132.24 86.44 2.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.3 171.43 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.437 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.7 pt -93.05 -3.0 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.84 -41.02 96.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.469 ' NZ ' ' OE1' ' A' ' 107' ' ' GLU . 63.3 pttt -59.57 -35.94 75.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.484 -179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.53 -152.67 0.16 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 p -172.44 10.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.14 163.11 23.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.742 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.5 p -81.92 160.8 23.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -64.05 -36.96 85.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.7 mt -62.7 -37.79 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.667 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 118' ' ' LEU . 95.1 mt-10 56.82 112.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.69 140.84 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -107.24 120.0 40.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -101.36 134.73 43.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.391 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -136.54 112.39 9.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 125' ' ' HIS . 14.6 m-70 -112.14 157.25 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.447 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 124' ' ' HIS . 41.7 m80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.89 -1.053 . . . . 0.0 110.763 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.834 H112 ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 5' ' ' LEU . 95.5 mm-40 -51.01 -42.34 60.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.607 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -41.54 -19.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.485 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.1 tt -54.78 -44.58 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.539 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -60.98 -41.49 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.96 -40.46 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -57.72 -44.69 86.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -53.66 -61.21 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -48.79 -44.98 39.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.1 m-85 -61.31 -52.65 63.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -44.47 -34.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.52 -37.9 71.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' TYR . 86.4 mt-30 -65.22 -41.32 94.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 HD21 ' A' ' 85' ' ' LEU . 4.4 mm? -63.9 -39.7 94.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.565 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.02 -40.78 98.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 21' ' ' THR . 85.9 mt-30 -56.89 -48.36 78.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 -179.133 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -64.45 -32.17 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.582 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -61.12 -17.85 54.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 17' ' ' GLN . 31.3 p -86.31 -2.61 58.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -92.0 6.43 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.39 0.32 83.15 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.37 146.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.542 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.54 -164.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.595 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -103.32 97.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.687 ' CE ' HD11 ' A' ' 32' ' ' LEU . 68.1 tttt -116.4 167.23 11.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.607 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 96.8 m-85 -97.67 131.44 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.643 179.625 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.69 -35.69 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 5.1 t0 -51.29 -57.58 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.93 -62.95 1.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.687 HD11 ' CE ' ' A' ' 27' ' ' LYS . 29.7 mt -46.16 -47.59 17.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 -179.009 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -75.67 -48.37 22.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 38' ' ' VAL . 77.3 t80 -51.88 -55.49 19.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 -178.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.85 -56.62 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 -178.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -59.6 -63.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.079 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.78 -25.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -178.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' PHE . 25.0 t -86.11 -63.24 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 -177.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -63.85 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 40' ' ' ASP . 61.1 t0 -54.59 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -178.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.29 -43.08 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -119.03 80.66 18.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 -178.384 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -79.39 -21.78 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.829 2.353 . . . . 0.0 112.104 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -125.09 0.24 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -142.13 67.05 21.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.81 -2.01 12.2 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.853 2.369 . . . . 0.0 112.138 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -63.25 -51.13 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -105.23 -81.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.75 104.23 0.06 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 p -101.06 168.87 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -89.19 124.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -136.55 141.18 43.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.563 179.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.1 -34.76 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -68.3 -44.79 74.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.551 -179.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' ARG . 92.1 mtt-85 -69.52 -68.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.575 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' CD1' ' C ' ' A' ' 56' ' ' TRP . 8.3 t-105 -41.12 -27.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.572 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ARG . 73.8 ttt-85 -73.64 -47.29 41.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.78 -53.78 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.42 -24.37 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -44.49 92.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.4 t70 -72.92 -35.96 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.048 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.7 m -52.81 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -63.75 -42.54 97.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.515 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -65.58 -61.81 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.619 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.3 t0 -53.77 -21.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -86.37 -40.72 15.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 -179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 64.7 t80 -63.71 -39.37 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.89 -59.26 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.539 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -52.16 -16.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 74.3 t80 -87.09 5.35 38.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.53 75.44 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 59.0 Cg_endo -79.6 160.49 25.16 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.831 2.354 . . . . 0.0 112.132 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -99.26 -2.98 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 76' ' ' PRO . 67.4 mmtt -125.82 31.3 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.708 ' O ' HG13 ' A' ' 75' ' ' VAL . 8.5 p -43.26 100.4 0.22 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 74' ' ' LYS . 57.1 Cg_endo -82.35 144.41 12.95 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.835 2.357 . . . . 0.0 112.139 -178.254 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 79' ' ' ALA . 13.3 p -74.53 -23.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.595 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.2 mt -46.76 -20.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -57.62 -62.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -47.0 -43.36 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -57.14 -44.21 83.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -59.75 -179.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 68.53 -72.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 -179.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -60.62 -39.31 87.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.626 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 15' ' ' LEU . 5.1 tp -64.03 -37.11 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.399 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.54 -43.14 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.2 tttt -67.35 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -56.36 -17.63 8.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.32 -53.67 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.5 tt -54.68 -32.21 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -62.6 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.2 mttt -57.72 -39.58 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' A' ' 95' ' ' VAL . 80.9 tttt -67.81 -16.16 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -55.46 -5.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 92' ' ' LYS . 61.3 t -40.77 -68.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 -178.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.78 ' ND2' HG12 ' A' ' 95' ' ' VAL . 1.3 p30 165.58 60.15 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 178.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.594 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.5 Cg_endo -89.45 -159.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.874 2.383 . . . . 0.0 112.094 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.9 -23.44 65.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 178.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.09 -43.73 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 49.3 ttp -67.45 -35.13 78.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 179.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -64.05 -50.04 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.18 -20.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 101' ' ' ALA . 5.2 t -93.42 -53.54 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.561 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.33 -24.1 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 178.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -87.62 -56.22 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.607 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -62.34 -42.92 99.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -126.15 84.98 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.602 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.66 155.16 34.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.28 -40.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.407 HD22 ' OG1' ' A' ' 116' ' ' THR . 91.2 mt -93.76 115.95 28.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -164.52 -155.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.517 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.5 t -60.93 -45.17 95.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.597 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -63.28 -35.22 79.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.62 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.5 p -73.05 153.56 40.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.37 -39.87 92.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.407 ' OG1' HD22 ' A' ' 110' ' ' LEU . 4.1 p -105.16 112.48 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -112.82 -6.37 13.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.512 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 96.9 mt -63.23 -40.42 97.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 55.35 44.7 26.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 118' ' ' LEU . 85.3 m-70 -134.18 137.67 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -70.03 -38.65 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.31 129.61 45.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -111.11 122.47 47.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -107.8 142.09 38.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.585 -179.901 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.446 H101 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.619 ' O ' ' N ' ' A' ' 5' ' ' LEU . 83.4 mt-30 -45.1 -50.04 11.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.608 -179.627 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.644 ' OE2' ' H21' ' A' ' 201' ' ' MYR . 50.9 mp0 -40.78 -15.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 179.161 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' A' ' 3' ' ' GLN . 4.3 tt -59.57 -43.43 93.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.544 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -55.24 -44.13 75.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.572 178.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -66.03 -39.9 90.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.539 178.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.887 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 82.6 t60 -59.32 -33.22 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.11 -62.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.598 ' NH2' ' NE2' ' A' ' 14' ' ' GLN . 78.0 ttt-85 -53.38 -47.61 69.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.3 m-85 -60.64 -53.48 56.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 8' ' ' HIS . 2.5 t -43.01 -35.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -72.31 -32.32 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 -178.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.598 ' NE2' ' NH2' ' A' ' 10' ' ' ARG . 86.0 mt-30 -70.57 -43.3 69.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.68 -41.03 98.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -62.53 -39.0 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -63.19 -42.33 99.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.552 -179.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.7 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.579 -179.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.567 ' O ' HG12 ' A' ' 24' ' ' VAL . 60.1 mt -59.35 -25.91 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -66.35 -30.46 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.6 p -75.44 -4.13 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -92.76 5.03 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.526 -179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -2.78 53.12 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 19' ' ' LEU . 3.2 p -66.41 151.21 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 0.0 110.578 179.759 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.1 ptmt -52.24 -167.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.77 103.46 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -124.06 148.97 46.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -71.26 134.26 46.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.14 11.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 29.6 t0 -47.31 -49.3 24.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.196 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.98 -60.95 2.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -178.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 45.2 tp -45.3 -47.25 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' CZ ' ' A' ' 37' ' ' PHE . 15.0 mmtt -76.96 -50.09 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 38' ' ' VAL . 56.8 t80 -47.63 -64.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.016 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.4 t80 -57.49 -53.43 58.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -178.166 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 32' ' ' LEU . 95.9 m-20 -49.51 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -177.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CZ ' ' NZ ' ' A' ' 33' ' ' LYS . 1.9 m-85 -64.52 -50.72 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 -177.488 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 34' ' ' PHE . 50.5 t -48.4 -60.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -178.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -65.99 -40.91 91.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -178.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 36' ' ' ASP . 47.9 t0 -64.72 -70.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.595 -177.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 50' ' ' THR . 95.7 mt -64.38 -42.75 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 -178.547 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -119.82 78.78 23.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -178.663 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -78.28 -22.77 9.4 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.827 2.351 . . . . 0.0 112.098 178.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -123.44 2.4 9.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 -179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -144.79 68.18 14.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 -179.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.92 0.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.797 2.332 . . . . 0.0 112.109 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.1 -51.38 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -178.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -103.97 -78.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.83 115.12 0.04 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.5 p -117.25 166.4 12.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.535 179.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.421 HG21 H142 ' A' ' 201' ' ' MYR . 1.6 pp -86.43 127.14 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.535 -179.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -134.48 140.63 46.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mt -95.74 -39.72 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.19 -48.7 67.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.4 mtp180 -67.9 -68.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 69.9 t90 -38.47 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.629 HH12 ' HE1' ' A' ' 83' ' ' TRP . 56.2 ttm-85 -74.37 -46.2 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.643 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ARG . 61.9 ttt85 -63.39 -53.9 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' OD1' ' A' ' 40' ' ' ASP . 67.8 t -72.37 -20.79 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.09 -47.88 35.3 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 65' ' ' ASP . 17.0 t70 -66.59 -40.18 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 110.596 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.8 m -52.09 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.1 -46.43 89.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.591 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -62.67 -63.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -178.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 61' ' ' ASP . 47.0 t0 -49.66 -23.99 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 179.828 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -86.97 -35.37 18.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -67.61 -43.68 79.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' THR . 24.9 p-10 -72.41 -58.54 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' ASN . 44.7 m -48.01 -18.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 84.1 t80 -84.58 4.85 30.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 51.98 71.21 0.7 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.47 161.2 31.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.742 2.294 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -103.04 -1.9 28.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.568 -179.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -121.2 29.91 7.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.707 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.3 p -44.41 101.89 0.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -178.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -83.14 144.49 11.85 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.743 2.295 . . . . 0.0 112.07 -178.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.71 -16.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.5 mt -53.45 -20.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 -179.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.81 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.539 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -44.32 -43.8 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 179.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 m -59.37 -44.4 92.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -53.65 177.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.096 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.629 ' HE1' HH12 ' A' ' 57' ' ' ARG . 51.5 t90 64.97 -63.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.535 ' OD1' ' CZ3' ' A' ' 83' ' ' TRP . 41.2 m-20 -59.99 -43.16 95.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.518 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 85' ' ' LEU . 69.7 mt -66.35 -37.4 85.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 179.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -55.11 -44.79 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -62.03 -58.89 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.547 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.91 -19.22 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.458 ' HG ' H143 ' A' ' 201' ' ' MYR . 0.1 OUTLIER -67.08 -59.01 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 179.819 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 91' ' ' ASP . 7.4 tt -52.17 -35.75 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.028 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 78.3 m-20 -57.44 -64.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.09 -36.96 71.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.851 ' NZ ' ' H81' ' A' ' 201' ' ' MYR . 6.1 mttp -64.92 -12.06 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -48.42 -7.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.644 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.565 ' H ' ' C ' ' A' ' 93' ' ' LYS . 15.5 t -52.89 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.555 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 5.9 t30 163.59 68.58 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 33.2 Cg_endo -90.24 -163.74 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.854 2.369 . . . . 0.0 112.067 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.5 -27.8 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.52 -44.74 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 36.5 ttp -67.67 -31.09 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.462 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -68.69 -49.19 60.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.53 -13.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.462 ' N ' ' C ' ' A' ' 101' ' ' ALA . 3.6 t -98.09 -52.97 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.841 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.55 10.15 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 103' ' ' VAL . 57.5 tt0 -126.61 -47.68 1.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.559 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 55.2 m -66.36 -19.1 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 59.18 50.95 7.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 110' ' ' LEU . 96.7 mt-10 -53.64 -20.29 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.765 HG23 ' O ' ' A' ' 109' ' ' ILE . 8.3 tp -40.83 82.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.517 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' H ' HD12 ' A' ' 110' ' ' LEU . 9.0 mp 35.37 75.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.487 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HG2' ' H ' ' A' ' 114' ' ' SER . 83.8 tttt -146.56 98.63 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.039 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.46 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 18.3 t -66.95 -40.98 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.614 178.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -46.44 -38.0 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.566 ' H ' ' HG2' ' A' ' 111' ' ' LYS . 5.9 m -81.77 -18.99 42.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 112' ' ' SER . 53.9 tt0 -173.83 -94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.16 136.38 18.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.56 179.053 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 112' ' ' SER . 55.8 m-20 -67.34 -33.82 76.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 120' ' ' HIS . 36.3 mt -62.39 -39.96 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 56.09 7.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' H ' ' C ' ' A' ' 118' ' ' LEU . 46.9 m80 -144.86 138.01 26.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.517 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -65.93 -43.92 86.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -120.57 145.78 47.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -86.76 123.13 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -106.43 146.62 30.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.543 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.555 -179.758 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.887 ' H91' ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 5' ' ' LEU . 87.5 mt-30 -50.98 -42.59 60.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 110.588 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 98' ' ' GLN . 94.6 mt-10 -45.43 -12.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.9 tt -48.64 -34.43 11.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.804 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -61.12 -40.55 94.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.408 HE22 ' HB ' ' A' ' 95' ' ' VAL . 51.2 tt0 -64.41 -38.96 92.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.82 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 86.2 t60 -57.65 -40.77 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.511 179.61 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -47.51 -50.11 24.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' GLN . 3.5 m-85 -59.31 -54.31 48.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.27 -38.77 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.95 -36.77 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 mm-40 -66.0 -41.22 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.551 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.1 mm? -63.87 -39.45 94.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.562 -179.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -62.08 -42.74 99.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.795 ' O ' HG23 ' A' ' 21' ' ' THR . 87.4 mt-30 -55.01 -51.99 64.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.563 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.06 12.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.39 -35.14 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.05 -15.17 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 17' ' ' GLN . 30.5 p -86.75 -2.63 58.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -95.91 1.55 53.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.488 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.32 2.66 90.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' O ' ' O ' ' A' ' 25' ' ' LYS . 1.9 p -64.05 144.72 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' A' ' 24' ' ' VAL . 11.7 ptmt -52.08 -165.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.713 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.17 103.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -124.62 153.27 42.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -77.49 131.19 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -41.8 12.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 4.6 t70 -54.14 -57.72 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.28 -62.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -47.49 -44.29 25.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -178.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' NZ ' H122 ' A' ' 201' ' ' MYR . 81.3 tttt -78.68 -52.63 8.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -178.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 91.2 t80 -52.43 -54.52 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 -178.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' ' CE ' ' A' ' 39' ' ' LYS . 5.8 t80 -60.65 -57.98 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -178.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -51.32 -57.09 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 -178.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.01 -56.62 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -178.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 34' ' ' PHE . 44.9 t -44.05 -51.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' CE ' ' CZ ' ' A' ' 35' ' ' PHE . 38.0 mttm -66.49 -44.68 81.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' ' C ' ' A' ' 40' ' ' ASP . 60.8 t0 -62.57 -71.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -178.168 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.457 HG21 ' O ' ' A' ' 50' ' ' THR . 87.5 mt -58.23 -44.01 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 -178.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -122.03 81.01 43.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 -178.744 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -81.65 -22.72 5.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 0.0 112.174 179.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.29 -3.35 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -178.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' CD2' ' N ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -145.45 75.05 13.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.535 -179.302 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -79.83 3.25 7.73 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.796 2.331 . . . . 0.0 112.096 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -61.53 -52.4 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -121.74 -82.67 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.2 103.58 0.03 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 178.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 41' ' ' ILE . 2.7 p -86.57 165.96 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.559 179.044 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.56 131.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.578 179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -136.11 143.06 44.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 16.7 mt -94.03 -34.47 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.86 -47.67 68.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.514 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 57' ' ' ARG . 82.6 mtp180 -68.76 -68.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 -179.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.5 t90 -38.89 -27.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.816 HH12 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -73.93 -46.22 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' ARG . 76.4 ttt-85 -64.97 -52.95 53.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.55 -179.169 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.3 -24.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.526 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.38 -43.46 78.44 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 65' ' ' ASP . 5.1 t70 -73.11 -40.37 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.567 -179.006 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.9 m -50.01 -66.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 -179.139 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -64.6 -47.09 79.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 82' ' ' TYR . 52.8 tt0 -63.55 -61.82 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 -178.138 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASP . 23.8 t0 -55.26 -26.89 42.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -80.91 -46.04 15.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -64.6 -40.1 94.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -76.33 -62.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 -178.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 88.9 m -43.69 -29.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.42 -55.12 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.73 68.65 0.26 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 178.532 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 58.3 Cg_endo -77.36 164.54 28.75 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.843 2.362 . . . . 0.0 112.094 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -101.41 -1.13 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -123.34 25.88 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.721 ' O ' HG13 ' A' ' 75' ' ' VAL . 12.7 p -44.4 102.65 0.3 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.53 150.59 14.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.797 2.332 . . . . 0.0 112.075 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.55 -25.99 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.561 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.8 mt -45.16 -28.4 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.577 ' O ' ' CD1' ' A' ' 82' ' ' TYR . . . -48.86 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 82' ' ' TYR . 55.1 m-85 -46.35 -39.08 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 85' ' ' LEU . 4.7 p -65.15 2.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.18 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -90.51 171.31 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.549 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.816 ' HE1' HH12 ' A' ' 57' ' ' ARG . 90.9 t90 65.88 -54.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 82' ' ' TYR . 35.7 t30 -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.487 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 81' ' ' SER . 95.0 mt -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.5 mm -54.47 -43.95 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.539 -179.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.3 tttt -68.34 -60.72 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.6 pt-20 -56.14 -20.49 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.98 -54.95 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.6 tt -54.81 -32.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.765 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -62.38 -65.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' VAL . 99.0 mttt -59.52 -42.08 91.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.579 179.193 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.597 ' NZ ' H101 ' A' ' 201' ' ' MYR . 69.2 tttt -64.65 -15.9 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.559 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -52.36 -4.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG12 ' OD1' ' A' ' 96' ' ' ASN . 13.4 t -41.7 -68.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 -178.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.684 ' OD1' HG12 ' A' ' 95' ' ' VAL . 1.5 p30 163.88 60.7 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 178.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.1 Cg_endo -90.03 -156.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.833 2.355 . . . . 0.0 112.139 179.367 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.528 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 53.8 tp60 -61.0 -23.12 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.527 179.221 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.58 -44.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.79 -33.97 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.55 -51.13 59.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.57 -19.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 t -92.22 -53.47 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 179.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.75 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 178.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -83.31 -56.05 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.6 m -63.44 -42.62 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -117.4 75.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.19 153.48 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.575 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.5 pt -72.86 9.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.413 HD22 ' OE2' ' A' ' 119' ' ' GLU . 61.9 mt -115.01 81.26 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.635 -179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.51 ' HG3' ' H ' ' A' ' 114' ' ' SER . 55.3 pttt -153.2 168.71 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.598 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.6 t -62.22 -43.82 97.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.59 -179.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -53.21 -39.9 64.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.51 ' H ' ' HG3' ' A' ' 111' ' ' LYS . 4.5 t -107.1 121.02 43.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 54.69 -122.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.9 p -142.49 154.91 44.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -77.06 -19.53 56.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 -179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.38 -36.33 83.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE2' HD22 ' A' ' 110' ' ' LEU . 92.6 mt-10 59.15 95.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -63.85 -43.19 96.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.92 150.86 33.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -118.21 138.91 52.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -121.88 128.68 51.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.572 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -110.1 143.28 40.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.506 179.992 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.82 ' H91' ' ND1' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.581 ' C ' ' H ' ' A' ' 5' ' ' LEU . 88.3 mt-30 -48.54 -45.53 37.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -48.47 -6.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.581 ' H ' ' C ' ' A' ' 3' ' ' GLN . 3.7 tt -60.02 -41.55 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.313 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -55.03 -45.54 75.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.06 -40.67 98.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.544 ' NE2' HG23 ' A' ' 12' ' ' VAL . 76.7 t60 -58.21 -40.88 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.261 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -51.95 -58.66 5.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -52.01 -43.1 63.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.577 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.6 m-85 -63.5 -51.95 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG23 ' NE2' ' A' ' 8' ' ' HIS . 2.1 t -43.79 -35.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.547 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -72.14 -34.42 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' TYR . 89.1 mt-30 -68.92 -42.11 77.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.605 -179.572 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -63.58 -41.96 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.429 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.93 -38.36 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.91 -45.7 88.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.008 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.6 -60.07 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.566 -179.351 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 24' ' ' VAL . 63.9 mt -55.16 -25.55 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.367 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -66.23 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.548 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 p -70.22 -15.05 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH21 ' HA ' ' A' ' 19' ' ' LEU . 81.0 mtt85 -82.0 3.83 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.459 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.2 -0.47 63.25 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 19' ' ' LEU . 1.7 p -64.92 150.11 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.675 0.274 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.5 ptmt -51.34 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.7 t -107.09 101.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.531 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -122.6 160.55 25.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -84.17 135.14 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.27 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 8.5 t70 -52.41 -55.98 18.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 31' ' ' LEU . 34.9 tp -64.52 -61.04 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 -178.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -45.6 -46.63 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HZ3' H122 ' A' ' 201' ' ' MYR . 75.6 tttt -78.21 -49.89 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.479 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 38' ' ' VAL . 75.4 t80 -47.5 -65.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 -179.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.446 ' CD2' ' C ' ' A' ' 35' ' ' PHE . 25.7 t80 -57.43 -51.9 67.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.512 -178.285 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.3 t0 -52.76 -60.59 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 -177.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.11 -57.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.586 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' PHE . 53.5 t -43.05 -59.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -178.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.14 -44.52 95.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 -178.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD1' ' CZ3' ' A' ' 56' ' ' TRP . 63.3 t0 -60.78 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 -178.361 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.663 HG23 ' NE ' ' A' ' 55' ' ' ARG . 89.2 mt -63.39 -44.51 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.587 -179.017 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -119.86 80.88 25.75 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.297 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.3 -20.9 9.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.786 2.324 . . . . 0.0 112.118 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -124.69 -3.15 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.551 -178.511 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 47.6 m-85 -138.37 62.22 29.47 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.82 3.05 3.52 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.849 2.366 . . . . 0.0 112.086 -179.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -63.39 -48.76 76.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -115.96 -82.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.531 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.25 94.2 0.05 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -86.66 170.73 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.6 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.491 HG21 ' C14' ' A' ' 201' ' ' MYR . 1.6 pp -90.65 129.1 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' OD1' ' NH1' ' A' ' 55' ' ' ARG . 95.2 m-20 -138.03 141.43 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.7 mt -90.67 -39.44 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.03 -45.71 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.608 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NE ' HG23 ' A' ' 41' ' ' ILE . 31.8 ttp180 -69.28 -67.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.533 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' OD1' ' A' ' 40' ' ' ASP . 50.6 t-105 -38.56 -30.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 55' ' ' ARG . 59.1 ttp180 -72.04 -46.36 57.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 179.548 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ARG . 62.1 ttm-85 -62.43 -59.41 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG11 ' OD2' ' A' ' 40' ' ' ASP . 92.2 t -69.01 -21.92 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.97 -48.63 32.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 65' ' ' ASP . 4.7 t70 -69.4 -42.57 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.562 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 74.7 m -50.17 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.608 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.18 -44.69 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -178.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.76 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 61' ' ' ASP . 43.5 t0 -49.75 -36.67 26.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.115 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -73.29 -44.58 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.649 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.93 -42.3 97.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -74.86 -63.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.542 -179.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 30.4 m -43.91 -28.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.597 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.64 -55.58 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 126.02 70.66 0.19 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 59.0 Cg_endo -79.48 162.02 25.07 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.86 2.374 . . . . 0.0 112.17 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -101.78 -3.26 28.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.44 29.88 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.677 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.1 p -42.7 101.43 0.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.573 -179.709 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -81.67 148.51 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.744 2.296 . . . . 0.0 112.154 -178.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.59 -14.51 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.42 ' O ' ' OG ' ' A' ' 81' ' ' SER . 82.4 mt -49.08 -21.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.2 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -42.18 -44.88 3.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.513 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 82.2 p -64.99 -42.13 94.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.688 ' CG ' ' N ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -53.09 169.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.279 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.688 ' N ' ' CG ' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 67.97 -59.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.486 -179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 64.8 m-20 -61.08 -43.26 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 85' ' ' LEU . 38.5 mt -66.9 -37.27 84.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mm -52.92 -45.32 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.443 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -66.56 -57.22 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -58.76 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.56 -58.42 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' LYS . 7.4 tt -54.18 -31.69 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 -179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -60.74 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 95' ' ' VAL . 67.4 mmtt -60.54 -40.82 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.729 ' NZ ' H102 ' A' ' 201' ' ' MYR . 82.3 tttt -62.94 -14.53 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -57.91 -3.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 93' ' ' LYS . 11.0 t -45.41 -70.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -178.211 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.564 ' N ' ' HD3' ' A' ' 97' ' ' PRO . 17.4 t30 169.44 61.17 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.564 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 19.0 Cg_endo -90.52 -156.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.842 2.361 . . . . 0.0 112.132 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.49 -20.6 66.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.12 -44.88 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 76.1 mmm -70.62 -28.01 64.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.01 -46.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.29 -15.05 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 12.0 t -93.95 -53.86 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.7 -27.58 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 178.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -83.99 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.84 83.86 2.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.529 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.01 151.19 47.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.47 HG23 ' HG ' ' A' ' 110' ' ' LEU . 14.1 tt -59.96 -27.76 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.47 ' HG ' HG23 ' A' ' 109' ' ' ILE . 64.5 mt -89.05 112.4 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.622 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -158.89 161.71 36.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 114' ' ' SER . 38.2 t -63.09 -41.43 99.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -39.91 -38.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' GLN . 16.0 p -75.76 161.73 28.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' SER . 78.0 mt-30 -36.48 -66.14 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -130.35 157.4 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.547 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -67.27 -38.52 85.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 118' ' ' LEU . 96.1 mt -66.68 -40.33 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.582 -179.734 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 56.79 24.62 9.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 118' ' ' LEU . 78.4 m-70 -115.85 128.01 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.82 -41.93 95.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.517 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -110.73 136.95 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.508 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -139.87 95.03 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -111.6 145.49 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.544 179.932 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.729 H102 ' NZ ' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 5' ' ' LEU . 90.5 mt-30 -43.23 -47.0 6.37 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.461 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 57.3 mp0 -41.61 -15.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.358 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 3' ' ' GLN . 2.6 tt -59.34 -44.06 92.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.194 179.209 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -55.07 -45.73 75.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.117 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.508 ' NE2' HG11 ' A' ' 95' ' ' VAL . 47.8 tt0 -64.73 -42.45 95.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.48 179.339 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -53.14 -36.1 60.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.1 -63.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.372 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -52.09 -45.14 64.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.347 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.2 -51.09 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.535 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -46.53 -34.83 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.477 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -71.19 -36.9 72.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.745 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -68.59 -41.07 80.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.53 -39.65 94.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.344 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.0 -40.04 94.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.55 -56.41 14.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 24' ' ' VAL . 93.7 mt -61.64 -23.75 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.987 0.422 . . . . 0.0 110.457 -179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.16 -36.2 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.566 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.4 p -68.14 -10.26 52.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.21 -1.84 56.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 69.79 -1.27 16.58 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.813 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.0 p -64.36 64.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 24' ' ' VAL . 18.0 ptmt 36.98 -165.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 0.0 110.498 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.7 t -117.84 108.77 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.237 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HZ1' HD13 ' A' ' 78' ' ' ILE . 12.2 ptmt -116.7 150.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.609 -179.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.753 ' O ' HD12 ' A' ' 32' ' ' LEU . 98.2 m-85 -80.8 133.66 35.66 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.301 -179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 33' ' ' LYS . . . -89.01 -37.02 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.626 0.726 . . . . 0.0 111.734 178.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 6.5 t0 -55.44 -62.67 1.53 Allowed 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.797 -178.03 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 mt -64.69 -59.93 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.379 . . . . 0.0 111.843 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 28' ' ' TYR . 98.0 mt -47.52 -43.66 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.667 ' HZ1' H131 ' A' ' 201' ' ' MYR . 76.9 tttt -80.21 -47.57 14.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.924 0.393 . . . . 0.0 111.638 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 64.9 t80 -51.62 -54.23 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.527 -178.835 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.78 -51.14 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 98.1 m-20 -54.23 -59.51 4.57 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.447 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.21 -60.82 3.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.798 0.333 . . . . 0.0 111.461 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' CYS . 44.0 t -43.64 -60.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.256 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.28 -46.83 81.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.552 -179.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' OD1' ' CE3' ' A' ' 56' ' ' TRP . 60.5 t0 -57.07 -69.56 0.15 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -178.592 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG21 ' O ' ' A' ' 50' ' ' THR . 97.5 mt -64.2 -43.17 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.697 -179.715 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -120.68 79.23 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.102 0.477 . . . . 0.0 111.112 -179.465 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.08 -18.61 9.95 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 C-N-CA 122.788 2.326 . . . . 0.0 112.262 179.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -122.19 -7.33 8.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.257 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 3.1 m-85 -138.36 67.77 46.2 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 -179.092 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.82 4.06 4.44 Favored 'Trans proline' 0 C--N 1.3 -1.975 0 C-N-CA 122.942 2.428 . . . . 0.0 112.236 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -61.62 -49.89 74.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -121.58 -78.78 0.6 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.3 100.49 0.02 OUTLIER Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 41' ' ' ILE . 3.7 p -87.44 168.93 12.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.776 0.322 . . . . 0.0 110.192 179.636 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG21 H142 ' A' ' 201' ' ' MYR . 1.6 pp -88.25 125.51 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -129.95 137.63 50.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.464 179.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mt -85.68 -38.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.24 -46.61 79.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' ARG . 65.9 mmt-85 -70.72 -64.93 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.42 -179.592 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' OD1' ' A' ' 40' ' ' ASP . 63.0 t-105 -41.06 -36.98 0.77 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -72.17 -44.6 62.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.635 178.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ARG . 88.2 mtt-85 -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.467 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.523 HG11 ' OD2' ' A' ' 40' ' ' ASP . 67.9 t -72.0 -22.82 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.33 -46.85 55.13 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' ASP . 33.9 t70 -69.35 -39.25 78.24 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 121.082 0.468 . . . . 0.0 110.429 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.7 m -50.88 -66.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.619 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -63.12 -47.12 84.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.88 -62.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 61' ' ' ASP . 35.2 t0 -50.61 -24.29 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.451 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.54 -39.29 20.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.533 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.404 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 76.8 t80 -64.68 -41.3 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' N ' ' A' ' 70' ' ' PHE . 10.8 m120 -70.77 -60.29 2.33 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.042 0.449 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.7 m -47.42 -16.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.071 0.462 . . . . 0.0 110.234 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 90.2 t80 -87.7 4.13 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASN . . . 54.72 68.44 1.68 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 63.2 Cg_endo -78.92 160.01 27.36 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 123.008 2.472 . . . . 0.0 112.138 179.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -101.79 2.13 38.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.61 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -124.78 26.3 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.798 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.9 p -44.16 99.97 0.22 Allowed Pre-proline 0 CA--C 1.533 0.32 0 O-C-N 123.61 0.569 . . . . 0.0 109.982 -178.376 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.86 144.26 13.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.864 2.376 . . . . 0.0 112.695 -178.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.67 -7.12 10.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 82' ' ' TYR . 67.5 mt -53.03 -20.26 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.05 -58.27 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 0.0 110.674 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -43.94 -47.91 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.609 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 78' ' ' ILE . 46.1 p -63.87 -42.78 97.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.5 m-85 -53.7 177.2 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.638 -179.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.525 ' O ' ' CE3' ' A' ' 83' ' ' TRP . 0.8 OUTLIER 60.97 -67.25 0.05 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.399 0.619 . . . . 0.0 110.652 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.571 ' N ' ' O ' ' A' ' 82' ' ' TYR . 53.5 m-20 -51.92 -41.01 61.67 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.42 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.54 -33.7 76.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.779 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -56.8 -41.75 76.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.946 -179.065 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 tmtt? -65.26 -56.42 12.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.238 0.542 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -59.45 -21.45 60.07 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.179 0.514 . . . . 0.0 110.499 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.589 HD13 ' HZ1' ' A' ' 33' ' ' LYS . 10.4 mt -71.98 -53.24 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.978 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' LYS . 6.1 tt -51.9 -32.64 14.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 121.553 0.692 . . . . 0.0 110.181 -179.787 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -60.05 -59.32 5.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.812 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -58.16 -36.65 73.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.297 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.912 ' HZ2' ' H81' ' A' ' 201' ' ' MYR . 7.3 mmtt -54.64 -23.16 15.97 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.248 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -45.56 -12.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.0 111.357 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 93' ' ' LYS . 4.3 t -52.59 -65.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.482 ' N ' HG12 ' A' ' 95' ' ' VAL . 1.1 m120 163.87 65.12 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 110.268 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 20.1 Cg_endo -92.05 -166.2 0.16 Allowed 'Trans proline' 0 C--N 1.294 -2.307 0 C-N-CA 123.107 2.538 . . . . 0.0 112.663 -178.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -68.01 -25.08 65.22 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.065 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.48 -42.69 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.343 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mmm -69.49 -31.58 69.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.54 -45.63 68.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.579 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.47 -16.35 0.57 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.357 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -91.67 -53.43 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.183 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.31 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.452 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -79.48 -53.38 6.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.4 m -60.95 -42.95 99.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.498 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -127.48 85.5 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.531 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.42 148.02 51.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.3 pt -55.84 -37.48 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 74.8 mt -94.47 111.07 22.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.141 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -149.03 153.88 38.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.72 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 114' ' ' SER . 27.9 t -63.14 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -40.18 -33.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.488 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 112' ' ' SER . 15.0 p -74.32 164.33 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.747 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -42.82 -58.16 2.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.4 p -134.63 144.79 48.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.425 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.86 -36.86 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.708 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 119' ' ' GLU . 97.1 mt -63.92 -40.7 97.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.614 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 118' ' ' LEU . 88.6 mt-10 56.73 149.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -134.94 137.48 43.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -61.25 -44.79 96.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -78.28 142.06 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.462 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -121.02 147.96 44.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.437 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -110.33 159.28 17.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.48 -179.81 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.912 ' H81' ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' LEU . 88.1 mt-30 -46.07 -46.09 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.562 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 7' ' ' GLN . 38.4 tp10 -43.19 -15.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 179.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.564 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.1 tt -55.21 -42.78 73.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -59.09 -41.63 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' OE1' ' OE2' ' A' ' 4' ' ' GLU . 55.3 tt0 -66.34 -36.72 83.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -60.28 -37.71 81.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.506 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.69 -63.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -48.85 -47.71 42.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLN . 6.2 m-85 -61.03 -53.01 62.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 29' ' ' ALA . 2.2 t -44.11 -37.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -69.57 -37.57 77.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.615 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 mm-40 -66.16 -42.04 89.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.529 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.26 -41.15 98.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.592 -179.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.605 ' O ' HG23 ' A' ' 21' ' ' THR . 87.1 mt-30 -59.74 -46.4 89.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -57.72 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.68 -31.12 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -61.32 -25.25 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.607 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 17' ' ' GLN . 29.9 p -75.71 -5.25 44.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 -179.222 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' NH2' ' OG ' ' A' ' 81' ' ' SER . 70.5 mtm180 -92.55 -1.91 56.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.532 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.0 2.35 90.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.7 p -63.26 147.59 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.607 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 24' ' ' VAL . 12.3 ptmt -53.09 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.34 100.28 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -120.4 153.26 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.94 133.61 36.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -89.22 -42.12 11.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' PHE . 27.8 t0 -52.05 -55.63 19.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.481 -178.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -63.19 -62.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 -178.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -45.97 -45.48 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HE2' H131 ' A' ' 201' ' ' MYR . 71.7 tttt -78.01 -50.07 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.588 -178.686 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 83.3 t80 -48.59 -64.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 -179.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -57.53 -51.25 70.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -178.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -53.44 -60.76 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -178.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -60.64 -58.8 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -178.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 34' ' ' PHE . 43.5 t -42.32 -60.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -178.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -64.2 -41.02 97.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 -178.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -63.64 -71.36 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.417 HG21 ' O ' ' A' ' 50' ' ' THR . 97.3 mt -62.72 -42.86 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -120.28 81.09 29.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.609 -179.037 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -80.31 -21.39 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.866 2.377 . . . . 0.0 112.091 179.05 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -125.06 4.03 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.221 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -144.28 69.55 15.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.64 -0.21 10.47 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.856 2.37 . . . . 0.0 112.075 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.62 -54.0 46.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.583 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -103.65 -79.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.607 179.18 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.77 115.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' HG21 ' A' ' 41' ' ' ILE . 1.9 p -116.75 161.97 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.331 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.7 131.62 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -135.73 142.13 44.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.548 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.25 -39.56 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.637 -179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.9 -47.73 70.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 58' ' ' ARG . 94.4 mtt-85 -69.97 -68.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' ARG . 46.5 t90 -38.01 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.557 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.749 HH22 ' HE1' ' A' ' 83' ' ' TRP . 60.5 ttm-85 -75.06 -45.09 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.741 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 55' ' ' ARG . 94.0 mtt180 -64.61 -56.23 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.292 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.0 t -71.93 -22.58 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.23 -45.86 59.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 65' ' ' ASP . 24.4 t70 -68.21 -37.76 81.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.548 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.6 m -53.67 -67.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -60.5 -45.08 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -64.18 -61.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 -178.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 61' ' ' ASP . 42.7 t0 -55.61 -20.41 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -85.98 -42.77 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.531 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 72' ' ' PRO . 74.8 t80 -62.72 -39.55 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.455 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -71.47 -56.08 6.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.586 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.3 m -52.09 -21.8 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' PHE . 82.9 t80 -80.19 2.09 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.622 -179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.07 73.56 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . 58.9 Cg_endo -79.87 158.47 24.36 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.885 2.39 . . . . 0.0 112.106 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -100.03 0.89 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -127.19 31.23 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.601 -179.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.697 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.7 p -45.28 102.97 0.32 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.357 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.95 145.4 14.06 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.77 2.313 . . . . 0.0 112.117 -178.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -76.08 -19.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.84 -20.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.55 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -46.43 -40.94 13.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.442 ' OG ' ' NH2' ' A' ' 22' ' ' ARG . 68.8 m -61.95 -42.93 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 84' ' ' ASN . 2.2 m-85 -55.35 178.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.647 -179.177 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.749 ' HE1' HH22 ' A' ' 57' ' ' ARG . 68.5 t90 65.63 -62.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.622 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 82' ' ' TYR . 6.6 m120 -61.32 -42.69 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 179.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD23 ' CD ' ' A' ' 88' ' ' GLU . 86.6 mt -67.57 -35.55 79.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -54.37 -44.03 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 90' ' ' ILE . 14.3 tmtt? -67.77 -59.81 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.505 ' CD ' HD23 ' A' ' 85' ' ' LEU . 2.9 pt-20 -58.75 -19.32 39.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.089 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.89 -57.59 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.1 tt -51.77 -36.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.439 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 93.1 m-20 -57.41 -62.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.637 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -26.05 32.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' A' ' 95' ' ' VAL . 4.0 mttp -80.03 -13.44 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.515 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -46.77 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.535 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.544 ' H ' ' C ' ' A' ' 93' ' ' LYS . 25.7 t -47.45 -68.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.515 -179.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.498 ' CG ' ' O ' ' A' ' 96' ' ' ASN . 9.3 t30 168.01 67.23 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.596 179.392 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 31.9 Cg_endo -90.45 -166.96 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.827 2.351 . . . . 0.0 112.107 -179.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.78 -26.57 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.8 t -56.65 -45.02 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 73.5 mtp -70.43 -30.52 67.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.373 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -65.74 -51.95 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.28 -13.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' A' ' 101' ' ' ALA . 4.7 t -101.04 -53.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.83 8.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.513 178.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 103' ' ' VAL . 69.3 tp60 -123.66 -46.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.595 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.6 m -68.88 -15.42 63.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 56.51 55.99 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.594 -179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.685 ' O ' ' C ' ' A' ' 109' ' ' ILE . 92.3 mt-10 -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 1.057 HG23 ' H ' ' A' ' 110' ' ' LEU . 7.4 tt 0.53 -73.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.057 ' H ' HG23 ' A' ' 109' ' ' ILE . 1.2 mp -129.34 -17.28 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.636 179.077 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -77.3 126.25 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -88.23 -175.02 4.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.524 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.5 -39.59 93.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.1 p -165.89 25.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -121.26 179.3 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -77.7 167.92 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.603 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.83 -26.71 62.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.62 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -42.0 99.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 55.08 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.496 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -111.48 136.12 51.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -118.57 139.55 51.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -113.1 127.36 56.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.525 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.78 133.8 43.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' HIS . 53.5 p-80 -102.43 122.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.484 ' OXT' ' CG ' ' A' ' 125' ' ' HIS . 41.8 p-80 . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.54 H102 ' HE2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 5' ' ' LEU . 86.7 mt-30 -42.72 -37.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 83.8 tt0 -38.75 -23.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.643 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 3' ' ' GLN . 1.8 tt -50.24 -43.83 53.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.595 179.049 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -59.98 -38.58 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.77 -43.0 90.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.634 ' ND1' ' H91' ' A' ' 201' ' ' MYR . 79.8 t60 -53.86 -40.41 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -63.99 -63.8 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -48.24 -48.16 35.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' GLN . 9.2 m-85 -62.53 -55.84 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.561 -179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -40.94 -39.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -69.32 -36.61 77.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.536 -179.196 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TYR . 88.3 mt-30 -65.65 -43.89 88.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 -178.802 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.2 mm? -61.59 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.528 -179.407 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.68 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.314 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.637 ' O ' HG23 ' A' ' 21' ' ' THR . 95.4 mt-30 -57.55 -51.03 71.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.63 -57.32 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -178.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.27 -32.47 72.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -62.29 -21.47 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 17' ' ' GLN . 34.4 p -82.5 -2.7 54.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.105 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.82 3.48 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.99 -2.16 84.62 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 25' ' ' LYS . 2.1 p -60.89 147.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.33 . . . . 0.0 110.574 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 24' ' ' VAL . 8.3 ptmt -54.49 -168.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.97 97.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -118.63 149.95 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.603 179.322 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -77.27 133.08 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.85 -42.4 13.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.568 ' CG ' ' HE2' ' A' ' 8' ' ' HIS . 18.7 t0 -52.6 -56.61 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.85 -62.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.589 -178.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.8 tp -44.91 -45.46 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.553 -179.162 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -79.09 -48.77 13.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -178.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 38' ' ' VAL . 82.1 t80 -49.56 -63.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -57.29 -53.78 54.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -51.6 -60.66 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -178.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -61.08 -56.75 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 34' ' ' PHE . 47.0 t -44.75 -61.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -178.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -63.45 -42.43 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -177.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -62.27 -70.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 -178.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' THR . 95.5 mt -63.17 -43.25 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.31 80.87 37.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -178.912 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -80.62 -20.39 8.04 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.345 . . . . 0.0 112.112 178.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -123.15 -0.35 8.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 66.1 m-85 -144.02 65.73 14.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.205 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.16 4.01 5.19 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.812 2.341 . . . . 0.0 112.052 -179.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -63.39 -48.43 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -109.14 -78.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.642 179.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.69 97.56 0.04 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.5 p -102.63 161.83 13.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.54 178.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 pp -74.58 129.69 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -131.45 139.96 49.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 71.4 mt -94.13 -40.42 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.43 -47.42 73.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' ARG . 99.9 mtt180 -72.3 -68.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -178.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 27.7 t90 -37.66 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.746 HH12 ' HE1' ' A' ' 83' ' ' TRP . 61.7 ttm-85 -75.15 -44.6 45.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.5 ttm180 -63.72 -58.66 6.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -69.79 -24.1 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.76 62.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -178.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 65' ' ' ASP . 8.0 t70 -70.27 -38.25 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -51.67 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -64.93 -43.99 90.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 -178.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -65.5 -62.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -178.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 61' ' ' ASP . 22.9 t70 -54.5 -32.26 57.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.611 -178.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -76.48 -42.85 42.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.617 -179.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -67.2 -37.81 84.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -80.04 -61.8 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 65' ' ' ASP . 82.7 m -42.97 -31.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -178.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.99 -53.87 43.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.466 ' H ' ' HD3' ' A' ' 72' ' ' PRO . . . 121.24 71.88 0.3 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.134 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD3' ' H ' ' A' ' 71' ' ' GLY . 57.9 Cg_endo -80.61 165.89 20.08 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.764 2.309 . . . . 0.0 112.126 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -101.95 1.62 36.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -126.17 29.85 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.602 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 75' ' ' VAL . 7.8 p -43.59 102.03 0.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.514 -179.451 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -81.67 144.16 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.8 2.333 . . . . 0.0 112.096 -178.362 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.2 -23.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.62 -24.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.552 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.15 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -46.94 -41.69 16.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.427 ' OG ' HD11 ' A' ' 85' ' ' LEU . 5.3 t -61.28 -44.87 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -54.26 179.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 -179.651 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.746 ' HE1' HH12 ' A' ' 57' ' ' ARG . 45.8 t90 64.16 -61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 82' ' ' TYR . 29.6 m-20 -61.48 -42.71 99.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.466 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.532 HD23 ' CD ' ' A' ' 88' ' ' GLU . 82.5 mt -66.96 -34.42 77.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.628 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.94 -43.87 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.6 tttt -65.86 -61.51 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' CD ' HD23 ' A' ' 85' ' ' LEU . 3.0 pt-20 -57.73 -20.58 35.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 -179.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.15 -58.31 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 87' ' ' LYS . 8.2 tt -52.86 -34.4 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 90' ' ' ILE . 86.3 m-20 -58.38 -65.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.26 -42.72 99.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.988 ' HZ2' H143 ' A' ' 201' ' ' MYR . 82.2 tttt -63.94 -13.76 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.526 -179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -58.26 -2.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.878 HG13 ' H ' ' A' ' 96' ' ' ASN . 7.1 p -44.58 -62.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -177.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.878 ' H ' HG13 ' A' ' 95' ' ' VAL . 1.2 m120 164.33 60.12 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 178.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 96' ' ' ASN . 18.9 Cg_endo -90.9 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.791 2.327 . . . . 0.0 112.111 179.065 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.507 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 68.0 tp60 -65.17 -26.34 68.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.026 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.97 -44.91 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.591 -179.443 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 81.1 mmm -70.01 -28.77 65.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' C ' ' N ' ' A' ' 103' ' ' VAL . . . -69.92 -50.95 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.582 179.51 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.2 -13.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 105' ' ' GLN . 10.2 t -98.04 -52.71 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.589 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.33 13.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 178.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 103' ' ' VAL . 86.2 mt-30 -128.8 -49.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.572 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.8 m -66.04 -19.34 65.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 58.49 69.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' O ' ' OE2' ' A' ' 119' ' ' GLU . 96.9 mt-10 -71.05 156.34 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.559 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.655 HG23 ' HG ' ' A' ' 110' ' ' LEU . 7.2 tt -49.28 -32.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.655 ' HG ' HG23 ' A' ' 109' ' ' ILE . 83.4 mt -102.42 133.18 47.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.267 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -160.44 -175.0 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.2 t -63.44 -40.5 97.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 115' ' ' GLN . 62.3 t30 -70.02 49.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.2 m -47.38 -12.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 113' ' ' ASN . 67.5 tp60 -60.66 -42.08 96.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 179.624 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.7 p -136.2 96.71 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.88 -3.05 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 118' ' ' LEU . 95.6 mt -64.01 -38.73 92.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' OE2' ' O ' ' A' ' 108' ' ' GLU . 97.5 mt-10 56.17 -98.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -114.11 142.29 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -95.06 121.6 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -115.59 153.02 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.643 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -103.89 130.73 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 124' ' ' HIS . 11.2 p80 -90.34 143.27 26.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.603 -179.916 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 201' ' ' MYR . . . . . 0.988 H143 ' HZ2' ' A' ' 93' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_