data_2o8k_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 2o8k _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 ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.084 0.468 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.535 ' HG1' ' H ' ' A' ' 19' ' ' GLY . 30.9 p -76.35 -155.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.02 -28.15 69.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.349 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.535 ' H ' ' HG1' ' A' ' 17' ' ' THR . . . -174.08 48.03 0.15 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.339 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 2.6 tt0 -60.41 -17.97 47.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 62' ' ' TYR . 1.6 pp -116.18 -23.16 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.522 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.8 ttp -63.01 -59.24 5.08 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.631 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 2.8 pttp -76.67 23.59 0.16 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.096 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -119.04 -48.17 2.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.563 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -52.17 -54.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.535 -178.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.37 -26.73 30.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.654 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 41.4 tt0 -70.73 -37.57 73.48 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.588 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -88.97 -36.71 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.414 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 69.6 t -66.26 -41.51 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -74.96 -5.02 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.658 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.52 -0.02 17.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -104.07 -111.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -105.26 100.85 10.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -37.37 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -75.69 -6.9 52.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -137.99 82.93 24.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.18 153.42 56.83 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.694 2.263 . . . . 0.0 112.651 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 21.2 m-85 -87.25 178.38 6.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.2 p -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.929 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.0 p-10 -22.48 -47.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.64 0.587 . . . . 0.0 111.147 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 35.1 tp60 -65.31 -49.77 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.768 0.318 . . . . 0.0 111.598 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.638 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.4 mp0 -63.66 -48.55 76.75 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.419 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -40.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.19 77.59 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.014 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -66.19 -50.6 63.32 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.665 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mt -65.84 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.1 mp -61.99 -30.19 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -76.7 -12.86 60.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -86.89 -19.11 29.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.996 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -89.8 -68.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.42 28.61 0.02 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.276 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 54' ' ' VAL . 59.6 m-85 -108.24 -13.3 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' HZ3' ' CB ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER 19.91 46.29 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.984 0.802 . . . . 0.0 110.96 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -93.0 139.94 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.695 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 152.93 38.45 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.93 -22.38 64.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -65.88 -39.84 91.05 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.079 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -82.02 -42.2 19.64 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.415 0.626 . . . . 0.0 110.464 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -61.54 -33.9 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.4 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' HG11 ' A' ' 59' ' ' VAL . . . -71.08 -40.35 71.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.134 0.492 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.07 -37.24 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.641 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.552 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.2 m-30 -67.02 -59.37 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.406 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' NH1' ' O ' ' A' ' 69' ' ' PRO . 10.5 ptt85 -43.24 -28.47 0.31 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.435 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -84.68 -30.61 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.1 ptm -73.95 -41.77 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' CG ' ' A' ' 65' ' ' MET . 0.4 OUTLIER -61.2 -54.79 39.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.144 0.497 . . . . 0.0 110.908 -179.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.576 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 151.88 34.35 0.03 OUTLIER Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.344 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.1 mp -129.6 130.23 23.23 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.818 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.596 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 56.9 Cg_endo -72.11 -44.68 0.81 Allowed 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.443 2.095 . . . . 0.0 112.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 72' ' ' ARG . 16.6 p -171.98 13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.365 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m 61.27 -7.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.608 ' H ' ' C ' ' A' ' 70' ' ' SER . 73.4 ttt180 -86.32 -35.61 19.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.132 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.97 -39.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.877 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt180 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.733 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.2 p -68.57 -159.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -59.92 -30.87 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.486 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.57 48.54 0.2 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 2.3 tt0 -61.87 -21.03 64.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.758 -0.26 . . . . 0.0 110.76 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -116.33 -20.77 9.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.17 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.502 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.8 ttp -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.912 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.1 pttp -75.77 16.75 0.36 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.194 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 22' ' ' MET . 3.9 mm? -111.4 -45.22 3.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.909 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.555 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.8 pt -52.29 -51.59 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.658 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.425 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -81.71 -29.12 33.1 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.621 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 81.4 tt0 -72.21 -36.81 69.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.85 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -85.72 -38.5 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.011 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 58.2 t -65.35 -42.35 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.23 -5.36 41.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.265 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.94 -12.65 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -96.12 -106.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -114.47 100.22 8.14 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.145 0.498 . . . . 0.0 110.089 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 36' ' ' LYS . 98.7 mttt -62.5 -38.35 89.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.803 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.03 7.88 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 34' ' ' LYS . 5.7 mtmp? -157.43 77.86 3.74 Favored Pre-proline 0 CA--C 1.519 -0.247 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.88 151.41 85.33 Favored 'Trans proline' 0 C--N 1.3 -2.016 0 C-N-CA 122.967 2.445 . . . . 0.0 112.468 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 16.1 m-85 -80.53 -176.6 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.998 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' N ' ' A' ' 42' ' ' GLU . 4.4 p -128.45 135.71 49.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' SER . 31.4 p-10 -25.72 -49.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.539 0.524 . . . . 0.0 111.369 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 32.8 tp60 -62.31 -46.8 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.431 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.9 mt-10 -67.03 -49.26 65.79 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.974 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.27 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 109.642 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.63 80.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.79 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.89 -49.18 68.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.235 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -66.41 -39.94 85.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.208 0.528 . . . . 0.0 109.909 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.5 mp -60.73 -31.93 71.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -75.72 -12.06 60.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.589 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.99 -19.09 27.68 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.798 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -87.77 -68.84 0.73 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.44 0.638 . . . . 0.0 110.259 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.27 29.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.16 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 71.5 m-85 -105.81 -16.61 14.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER 29.3 40.23 0.0 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.652 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.36 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.874 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -106.16 163.38 12.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -62.77 -25.1 68.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.746 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -66.4 -40.38 89.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.615 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -81.49 -42.99 19.44 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.605 0.717 . . . . 0.0 110.309 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.47 -34.4 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.72 -177.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . . . -71.78 -33.73 68.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.555 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -83.87 -15.46 48.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.197 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -87.51 -45.07 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.585 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.476 HH21 ' HB3' ' A' ' 40' ' ' ASP . 18.5 ptt85 -62.12 -24.16 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.339 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -83.5 -27.1 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.91 -31.19 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.712 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -70.56 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.2 33.01 0.03 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.476 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HH11 ' A' ' 74' ' ' ARG . 2.4 mt -137.46 125.29 14.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.663 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.19 -34.76 15.72 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.067 1.845 . . . . 0.0 111.781 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 72' ' ' ARG . 26.4 p -173.03 -2.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.666 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' SER . 0.8 OUTLIER 77.8 -29.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.558 0.218 . . . . 0.0 110.689 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.5 ttt-85 -69.07 -38.34 79.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.294 0.569 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.04 -38.74 91.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.973 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.431 HH11 HG12 ' A' ' 68' ' ' ILE . 83.6 mtp180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.472 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.042 0.448 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -73.07 -160.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.609 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.5 -32.22 57.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.318 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.34 52.14 0.17 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.476 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 3.2 tt0 -62.54 -19.21 63.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.581 0.229 . . . . 0.0 110.964 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -113.27 -21.22 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.569 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.6 ttp -65.03 -63.73 1.04 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.68 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -72.56 18.01 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.237 -178.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -113.02 -46.13 3.13 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.823 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.549 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.1 pt -49.7 -51.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.329 -0.549 . . . . 0.0 111.707 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' H ' HG13 ' A' ' 25' ' ' ILE . 1.6 pttp -82.84 -30.05 28.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 111.788 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 82.4 tt0 -70.42 -36.55 74.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.458 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.1 -38.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 58.6 t -66.5 -33.04 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.623 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -85.66 -5.98 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.637 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.95 -11.48 18.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -94.88 -107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -115.86 100.68 8.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.468 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.85 -38.45 88.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.318 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -68.0 -19.13 64.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -133.26 83.99 48.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.36 162.07 41.16 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.975 2.45 . . . . 0.0 112.655 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 19.8 m-85 -89.95 -160.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.713 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 p -145.34 131.89 19.83 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 p-10 -22.29 -47.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.905 0.384 . . . . 0.0 111.37 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' SER . 36.7 tp60 -64.65 -50.55 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.395 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 39' ' ' SER . 71.1 mm-40 -63.18 -43.87 97.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.5 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.422 HD11 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -61.44 -41.18 89.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.7 79.02 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.695 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.75 -51.78 45.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.231 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.6 mt -64.22 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.023 0.439 . . . . 0.0 110.461 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.3 mp -62.23 -30.99 71.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.796 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -76.12 -11.89 60.01 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.356 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -87.74 -18.7 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.996 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -90.13 -69.34 0.73 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.332 0.586 . . . . 0.0 110.098 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.74 26.39 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.628 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 54' ' ' VAL . 72.0 m-85 -104.53 -13.3 16.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.107 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' PHE . 4.0 ptmt 28.12 37.75 0.0 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.56 155.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -106.78 162.94 13.35 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.743 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.546 ' NE ' ' OD1' ' A' ' 40' ' ' ASP . 3.3 ttt180 -61.13 -23.89 65.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.193 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.0 mtm-85 -63.95 -39.72 94.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.561 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -85.87 -43.06 13.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.293 0.568 . . . . 0.0 111.014 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -62.6 -33.5 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.539 -178.091 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.45 ' N ' HG12 ' A' ' 59' ' ' VAL . . . -69.11 -34.22 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.43 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -81.09 -20.52 41.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.142 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -85.17 -39.59 17.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' A' ' 70' ' ' SER . 8.4 ptp180 -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -94.53 -21.07 19.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 ptm -82.56 -35.22 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.975 0.417 . . . . 0.0 110.389 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -74.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.623 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.76 36.08 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.453 ' CG1' HH11 ' A' ' 74' ' ' ARG . 3.9 mp -125.4 106.7 27.31 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.974 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.54 -47.4 27.31 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.475 2.117 . . . . 0.0 111.738 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.626 ' C ' ' H ' ' A' ' 72' ' ' ARG . 55.2 p -170.11 15.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.73 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 t 60.37 -9.29 0.06 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.225 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.626 ' H ' ' C ' ' A' ' 70' ' ' SER . 72.1 ttt180 -87.87 -37.08 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.061 0.457 . . . . 0.0 110.255 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.08 -36.94 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.163 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.453 HH11 ' CG1' ' A' ' 68' ' ' ILE . 84.0 mtp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.528 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.913 0.387 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.1 p -70.81 -159.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -60.21 -30.49 69.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.51 49.08 0.21 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.555 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 2.7 tt0 -62.48 -15.92 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.292 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.46 -21.63 6.75 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.06 0.457 . . . . 0.0 111.013 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.426 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.8 ttp -63.92 -52.81 58.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.949 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -80.65 15.69 1.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.914 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 3.6 mm? -109.19 -48.87 3.2 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -50.06 -54.85 6.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.559 0.695 . . . . 0.0 111.648 -178.128 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -73.81 -31.47 63.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.266 0.555 . . . . 0.0 111.207 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 79.4 tt0 -75.68 -41.81 52.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.271 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -69.4 -41.04 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 27.5 m -70.65 -38.62 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.077 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.36 2.39 4.93 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -116.06 -15.4 11.15 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.525 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.46 -110.94 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.87 0.367 . . . . 0.0 111.268 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -111.92 101.8 10.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.17 -39.05 91.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.316 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -32.14 72.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -128.99 81.63 70.46 Favored Pre-proline 0 C--N 1.312 -1.023 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.414 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.06 163.87 37.06 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.394 2.063 . . . . 0.0 112.609 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 35.8 m-85 -86.92 172.86 9.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.1 p -119.16 137.98 53.24 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.624 ' CA ' HH21 ' A' ' 63' ' ' ARG . 18.7 p-10 -20.4 -48.74 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 124.042 0.839 . . . . 0.0 111.0 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 39' ' ' SER . 2.9 tm0? -60.07 -67.69 0.36 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.134 0.493 . . . . 0.0 110.143 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 96.5 mt-10 -46.72 -49.65 19.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.668 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.11 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.4 75.79 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -70.8 -50.74 32.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.717 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -65.55 -37.93 81.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.5 mp -60.85 -24.24 65.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.761 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -84.77 -8.86 58.66 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.35 -8.65 44.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.103 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -105.48 -63.06 1.28 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.395 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.68 46.36 0.03 OUTLIER Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.502 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -127.74 -14.86 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.578 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 21.73 44.77 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 O-C-N 124.031 0.832 . . . . 0.0 111.357 179.361 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.3 p -94.47 138.74 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.728 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.85 157.94 28.24 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.81 -22.77 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.28 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 65.4 mtt85 -62.95 -40.18 96.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.059 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -85.91 -40.65 15.68 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.113 0.482 . . . . 0.0 110.558 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -30.75 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.084 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.29 44.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.91 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 60.7 mmtt -89.57 -17.9 27.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.292 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.409 ' CD2' ' SD ' ' A' ' 65' ' ' MET . 3.1 m-30 -90.44 -33.96 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.342 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.624 HH21 ' CA ' ' A' ' 40' ' ' ASP . 8.8 ptp180 -57.85 -29.42 64.96 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.407 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -93.78 -20.79 19.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.408 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.409 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 5.6 ptm -75.18 -37.98 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.966 0.413 . . . . 0.0 110.349 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.44 -72.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.748 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.62 36.45 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.275 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -133.31 132.47 22.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.75 -56.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.033 1.822 . . . . 0.0 111.617 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 72' ' ' ARG . 82.0 p -147.33 3.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.245 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.415 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.7 OUTLIER 70.25 -14.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.541 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.1 ttt-85 -88.27 -32.38 18.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.53 -39.29 81.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.655 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.427 HH11 HG12 ' A' ' 68' ' ' ILE . 83.3 mtp180 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.229 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' HG1' ' HB2' ' A' ' 20' ' ' GLU . 77.0 p -69.67 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.39 -30.91 65.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.9 51.85 0.15 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB2' ' HG1' ' A' ' 17' ' ' THR . 2.3 tt0 -62.41 -22.95 66.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.763 0.316 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.65 -21.91 12.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.94 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.504 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.3 ttp -65.84 -61.19 2.2 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.951 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -76.82 20.98 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.079 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.2 mm? -118.68 -39.79 2.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.8 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.3 pt -57.77 -46.63 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.184 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -83.34 -25.43 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 111.765 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -70.36 -39.12 74.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.396 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.7 pp -87.81 -38.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.279 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.9 t -63.35 -41.77 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.54 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -77.26 2.61 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.771 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.06 -5.78 10.49 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.422 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -95.66 -109.64 0.14 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.26 102.85 11.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.224 0.535 . . . . 0.0 110.504 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.34 -38.17 88.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.564 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -77.02 -7.51 55.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -137.52 82.87 26.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.401 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.87 152.01 51.72 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.614 2.209 . . . . 0.0 112.226 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.04 -163.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.919 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' GLU . 23.6 p -147.04 136.48 22.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' SER . 35.8 p-10 -25.37 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 O-C-N 123.385 0.428 . . . . 0.0 111.441 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 29.4 tp60 -64.4 -48.82 73.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.31 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' SER . 72.0 mm-40 -61.65 -56.1 23.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.401 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.1 -35.51 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.07 84.91 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.637 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.0 t-20 -67.7 -50.0 59.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.871 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.29 -39.42 85.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.118 0.485 . . . . 0.0 110.355 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.6 mp -61.07 -24.06 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.839 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -84.19 -9.87 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.221 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -91.25 -10.81 40.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -102.56 -66.21 0.94 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.751 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.79 39.88 0.03 OUTLIER Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.526 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' VAL . 69.9 m-85 -120.82 -14.66 8.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.508 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HZ3' ' CB ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER 23.97 41.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.931 0.77 . . . . 0.0 110.921 179.006 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.4 p -91.01 140.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.676 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.63 159.05 21.66 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.42 -24.07 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -66.77 -38.35 86.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m -82.22 -42.18 19.29 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.28 0.562 . . . . 0.0 110.513 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.39 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.205 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.3 84.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.575 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.45 -14.41 62.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.418 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.8 m-30 -93.25 -43.51 8.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.235 0.541 . . . . 0.0 110.85 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' ILE . 13.6 mmm180 -59.87 -7.87 1.91 Allowed 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.228 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -118.51 9.71 12.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 179.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -119.09 -34.68 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -78.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.23 -51.52 0.02 OUTLIER Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.291 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.487 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.4 mt -61.42 134.48 93.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.557 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.96 -56.95 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.181 1.92 . . . . 0.0 111.996 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 72' ' ' ARG . 35.0 p -152.74 11.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.026 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.485 ' H ' HG21 ' A' ' 68' ' ' ILE . 18.8 t 63.12 -7.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.541 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.4 ttt85 -88.22 -34.87 17.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.08 -41.63 81.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.426 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -70.08 -155.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -59.99 -29.54 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.06 50.12 0.13 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.0 tt0 -60.52 -18.97 55.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.644 0.259 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -112.64 -22.88 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 24' ' ' LEU . 2.8 ttp -64.26 -57.95 7.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -77.8 18.45 0.47 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.269 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.1 mm? -115.06 -43.94 3.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.074 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.566 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.6 pt -52.33 -50.11 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.603 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -82.55 -27.37 31.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.994 0.426 . . . . 0.0 111.763 -179.002 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.2 -38.76 75.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.91 -38.01 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.32 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.566 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.6 t -64.21 -42.44 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 81.1 mm-40 -74.5 -7.52 53.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.169 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.76 -12.16 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.96 -108.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.129 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -115.31 99.14 7.18 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.304 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 36' ' ' LYS . 98.7 mttt -62.58 -37.19 85.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.127 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.3 4.07 2.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.404 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 34' ' ' LYS . 47.2 mtmt -155.78 77.48 4.62 Favored Pre-proline 0 CA--C 1.519 -0.223 0 CA-C-O 121.134 0.492 . . . . 0.0 109.833 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.38 153.46 70.45 Favored 'Trans proline' 0 C--N 1.296 -2.216 0 C-N-CA 123.205 2.603 . . . . 0.0 113.127 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 33.8 m-85 -86.15 169.32 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.283 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.592 ' O ' ' N ' ' A' ' 42' ' ' GLU . 80.3 p -118.19 137.52 52.94 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 40.5 p-10 -25.3 -47.61 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 O-C-N 123.613 0.571 . . . . 0.0 111.099 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 24.7 tp60 -63.75 -49.68 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.643 0.258 . . . . 0.0 111.57 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 39' ' ' SER . 98.4 mt-10 -64.34 -50.9 65.95 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.541 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.67 -39.85 72.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.764 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.69 81.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.968 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -67.84 -50.41 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.396 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.47 -41.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.27 0.557 . . . . 0.0 110.15 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.9 mp -59.15 -21.49 59.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -83.14 -12.5 56.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.407 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -90.63 -14.52 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -94.15 -68.44 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 110.126 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.32 45.67 0.03 OUTLIER Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 54' ' ' VAL . 57.3 m-85 -128.57 -13.8 4.76 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 19.57 46.83 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 O-C-N 123.922 0.764 . . . . 0.0 111.523 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.6 ' N ' ' O ' ' A' ' 52' ' ' PHE . 2.1 p -90.55 152.68 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.983 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -93.41 161.01 14.55 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.886 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 25.4 ttm180 -63.08 -24.96 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.457 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.709 ' N ' ' HE ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -66.04 -37.65 86.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -84.43 -42.11 15.97 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.324 0.583 . . . . 0.0 110.308 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -33.01 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.528 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.1 57.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.32 -13.6 27.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.73 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -90.69 -44.96 9.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' ILE . 0.8 OUTLIER -61.41 -25.23 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.577 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -87.73 -20.86 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ptm -89.67 -30.46 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -72.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.611 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.76 37.59 0.04 OUTLIER Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -144.81 128.45 8.69 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.06 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.51 -51.3 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.013 1.809 . . . . 0.0 111.566 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 72' ' ' ARG . 45.9 p -156.96 6.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.004 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.407 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.9 OUTLIER 69.91 -26.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.742 -179.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' H ' ' C ' ' A' ' 70' ' ' SER . 53.0 ttt85 -69.35 -38.33 78.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.233 0.54 . . . . 0.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.928 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 84.5 mtp180 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.03 0.443 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -76.41 -154.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.454 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.39 -27.33 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.97 49.98 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.346 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.67 -19.7 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 62' ' ' TYR . 1.4 pp -110.24 -23.38 11.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -66.61 -48.95 67.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.57 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' MET . 4.0 pttm -90.37 20.67 4.32 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 4.3 mm? -123.24 -33.3 3.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.554 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -57.15 -47.77 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.603 -178.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' H ' HG13 ' A' ' 25' ' ' ILE . 2.5 pptp? -84.1 -23.11 30.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.255 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.47 -37.82 71.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.549 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp -89.65 -38.91 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.155 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 70.6 t -63.85 -41.82 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.403 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.489 ' OE1' ' NE ' ' A' ' 74' ' ' ARG . 79.9 mm-40 -79.21 -4.38 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.861 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -107.59 -10.42 15.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -92.3 -104.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -113.58 101.78 9.66 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.0 -37.93 86.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.489 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -73.86 -5.31 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.346 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -139.19 83.44 17.81 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.668 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.48 151.54 59.27 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.659 2.24 . . . . 0.0 112.295 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -91.16 167.2 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 41' ' ' GLN . 95.2 p -120.13 139.91 51.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.1 p-10 -23.05 -47.0 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 124.096 0.872 . . . . 0.0 110.925 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.557 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.4 tm0? -62.46 -66.65 0.51 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.222 0.534 . . . . 0.0 110.394 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 98.8 mt-10 -45.54 -54.64 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.372 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -55.89 -38.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.145 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.21 73.59 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.297 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.87 -50.49 28.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.553 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.74 -38.49 82.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.9 mp -61.7 -33.2 73.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.794 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -74.63 -10.22 59.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.316 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -90.09 -18.42 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -90.59 -70.04 0.7 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.31 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 28.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.293 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' N ' ' A' ' 54' ' ' VAL . 67.8 m-85 -106.42 -19.07 13.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.21 38.4 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.692 0.758 . . . . 0.0 110.319 178.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.0 p -89.22 145.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.962 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.76 161.17 20.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -63.54 -24.62 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.769 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.88 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -80.82 -44.61 18.21 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.534 0.683 . . . . 0.0 110.303 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -30.04 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.761 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.64 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.453 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.44 -37.74 80.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.6 m-30 -66.87 -52.37 44.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.797 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.653 HH21 ' CA ' ' A' ' 70' ' ' SER . 10.6 ptm85 -55.9 -5.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.537 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 62' ' ' TYR . 37.0 mm-40 -115.23 -1.71 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.099 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ptm -102.97 -36.2 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.48 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.62 30.89 0.03 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.063 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.68 125.51 25.5 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' O ' ' OE1' ' A' ' 64' ' ' GLU . 76.9 Cg_exo -49.37 -44.63 33.63 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.243 1.962 . . . . 0.0 111.421 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.682 ' C ' ' H ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 163.42 32.56 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 111.912 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t 57.7 -14.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.443 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.682 ' H ' ' C ' ' A' ' 70' ' ' SER . 70.4 ttp85 -70.72 -42.92 69.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.381 0.61 . . . . 0.0 109.637 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -76.64 -36.29 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.093 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.489 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 77.3 mtp85 . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.776 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -65.04 -161.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.72 -30.67 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.58 53.68 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.571 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 tt0 -63.34 -31.14 72.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.3 -21.42 14.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.71 -50.47 64.75 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' C ' ' HZ2' ' A' ' 26' ' ' LYS . 3.7 pttt -91.37 18.77 6.73 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.837 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.571 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.2 mm? -119.16 -33.84 4.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -54.13 -48.11 65.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.64 -178.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.578 ' H ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -81.23 -22.59 38.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.855 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 38.9 tt0 -68.82 -40.54 79.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.599 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.6 pp -90.5 -38.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 69.8 t -63.73 -38.21 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.316 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 80.7 mm-40 -81.72 -5.71 58.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.75 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.81 -14.0 16.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.378 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.53 -105.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -118.22 100.16 7.33 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' NZ ' ' OE2' ' A' ' 30' ' ' GLU . 67.2 mttm -61.77 -38.65 88.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.542 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.82 -32.07 72.35 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.462 0.648 . . . . 0.0 110.979 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -122.36 81.2 45.83 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.077 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.31 158.43 54.48 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.686 2.257 . . . . 0.0 112.782 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -90.03 169.75 10.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.589 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' GLN . 10.4 p -117.23 137.79 52.14 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.924 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 p-10 -18.77 -48.36 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.063 0.852 . . . . 0.0 111.265 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 tm0? -63.16 -67.23 0.44 Allowed 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.185 0.517 . . . . 0.0 110.198 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 99.2 mt-10 -44.82 -48.69 11.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.281 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -38.8 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.6 76.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.417 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -70.89 -50.7 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.863 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.23 -37.71 80.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.8 mp -61.34 -25.16 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -82.93 -8.96 59.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.468 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -92.31 -13.09 30.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.113 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.56 -61.26 1.4 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.613 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.54 32.64 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.794 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 53' ' ' LYS . 66.3 m-85 -112.09 -21.02 11.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.377 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.39 42.21 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.751 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.0 p -88.81 153.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.761 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.57 156.25 17.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.68 -24.93 67.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.765 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -36.39 81.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -83.03 -43.25 16.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.308 0.575 . . . . 0.0 110.491 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -64.72 -32.58 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.871 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.56 -39.35 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.267 0.556 . . . . 0.0 110.857 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.89 -37.33 70.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.003 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.4 m-30 -68.49 -50.47 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.353 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -48.67 -19.26 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.332 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 1.5 tm-20 -101.98 -22.14 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.9 ptm -75.29 -39.3 59.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' N ' ' CG ' ' A' ' 65' ' ' MET . 2.9 mp -62.32 -65.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.971 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 33.95 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.78 119.62 28.96 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.234 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.594 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 69.4 Cg_exo -48.52 -63.9 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.673 2.249 . . . . 0.0 111.972 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 71' ' ' SER . 77.9 p -154.05 2.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.719 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 70' ' ' SER . 2.7 p 83.36 -23.71 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.443 ' CG ' ' OG ' ' A' ' 70' ' ' SER . 15.5 ptt180 -87.58 -28.82 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.944 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.33 -36.4 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.286 0.565 . . . . 0.0 110.641 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.729 -179.377 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -74.88 -155.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -61.64 -26.91 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.97 49.88 0.12 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 3.0 tt0 -62.15 -17.23 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.6 pp -115.92 -22.47 9.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.7 ttp -63.85 -60.55 3.14 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -74.14 16.28 0.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -110.43 -50.27 2.98 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.545 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.4 pt -41.1 -54.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.726 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' H ' HG13 ' A' ' 25' ' ' ILE . 4.4 ptpt -78.26 -33.47 49.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.243 0.545 . . . . 0.0 111.637 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -70.18 -39.41 75.26 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.85 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 29' ' ' VAL . 1.7 pp -82.06 -35.27 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 123.295 0.372 . . . . 0.0 110.539 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 56.4 t -71.26 -30.97 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-O 120.723 0.296 . . . . 0.0 110.404 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.89 -4.94 58.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -103.12 -17.09 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -88.97 -106.44 0.08 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -118.72 98.41 6.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -61.27 -37.43 83.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -66.85 -3.83 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.718 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -157.64 80.53 3.24 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.113 0.482 . . . . 0.0 109.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.19 -172.72 0.14 Allowed 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.032 2.488 . . . . 0.0 112.6 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.9 m-85 -115.66 -170.56 1.8 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.409 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -133.34 135.23 44.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 2.8 p30 -21.33 -48.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 123.637 0.586 . . . . 0.0 111.258 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.9 tp60 -62.96 -53.26 56.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.404 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.7 mm-40 -61.33 -44.22 97.57 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.434 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 HD12 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -60.11 -40.82 84.5 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.718 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.0 -33.33 75.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.161 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -69.15 -52.78 24.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.568 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.39 -39.26 84.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.1 mp -61.5 -29.69 70.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -77.23 -10.59 59.51 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.819 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.92 -18.48 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.668 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -90.78 -69.47 0.73 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.165 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.15 31.0 0.03 OUTLIER Glycine 0 N--CA 1.465 0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.307 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 54' ' ' VAL . 62.9 m-85 -109.49 -17.09 13.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.651 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 29.28 36.1 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.849 0.833 . . . . 0.0 110.621 179.085 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.4 p -86.54 149.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.556 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.49 163.23 13.13 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 111.117 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.587 ' NH2' ' OD1' ' A' ' 40' ' ' ASP . 37.6 ttt-85 -62.83 -24.51 67.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.461 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -63.98 -38.95 92.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.062 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -84.98 -44.61 12.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 121.105 0.478 . . . . 0.0 110.778 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -28.44 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.046 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.59 49.44 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.981 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -89.04 -21.13 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' CD2' HD13 ' A' ' 21' ' ' LEU . 2.4 m-30 -76.79 -34.74 57.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 68' ' ' ILE . 12.5 ptp180 -67.59 -8.51 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.64 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -96.88 -23.01 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -89.37 -23.74 22.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -72.99 0.41 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.481 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 162.17 43.87 0.02 OUTLIER Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.5 mp -136.54 122.5 13.53 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.93 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.36 -55.83 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.343 2.028 . . . . 0.0 112.114 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.599 ' C ' ' H ' ' A' ' 72' ' ' ARG . 41.6 p -154.77 8.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.091 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.26 -23.11 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.599 ' H ' ' C ' ' A' ' 70' ' ' SER . 76.8 ttt180 -70.81 -38.89 73.31 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.208 0.528 . . . . 0.0 110.112 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.74 -35.66 81.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.79 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.481 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 92.4 mtt-85 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.041 0.448 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.4 p -71.03 -155.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.43 -27.51 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.419 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.36 50.32 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.553 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.3 tt0 -60.05 -21.07 60.95 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.74 0.305 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.406 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.3 pp -108.46 -21.36 12.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.42 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.2 ttp -67.29 -57.27 6.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -79.21 17.57 0.78 Allowed 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.581 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.0 mm? -117.56 -40.86 3.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.563 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -53.56 -50.21 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.192 -178.385 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -83.35 -26.99 30.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.906 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -70.65 -38.86 73.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -86.32 -38.54 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.6 t -64.86 -34.83 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -83.64 -6.93 59.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.98 -10.31 18.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -92.81 -107.72 0.11 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -115.52 101.03 8.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.473 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.747 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.64 -22.8 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.454 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.18 81.38 70.58 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.338 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.47 155.74 62.94 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.85 2.367 . . . . 0.0 112.917 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -86.76 -160.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.658 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 10.9 p -151.98 139.04 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.033 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 3.6 p30 -21.87 -54.57 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 O-C-N 123.943 0.777 . . . . 0.0 111.26 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.2 tm0? -60.55 -67.3 0.41 Allowed 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 121.115 0.484 . . . . 0.0 109.9 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 95.0 mt-10 -39.94 -60.94 0.93 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.378 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 pt -53.9 -35.79 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.13 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.402 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -70.94 -49.8 41.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.994 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -64.17 -39.49 85.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.228 0.537 . . . . 0.0 110.262 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.9 mp -60.55 -27.58 67.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.861 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -77.79 -13.48 59.88 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.04 -18.73 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -88.82 -69.65 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.347 0.594 . . . . 0.0 110.082 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 25.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' LYS . 63.9 m-85 -103.17 -23.72 13.62 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.014 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 30.98 43.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.701 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.76 144.44 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.15 158.43 26.33 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -64.4 -21.38 66.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -66.99 -40.11 87.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.263 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -81.82 -42.69 19.31 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-O 121.271 0.558 . . . . 0.0 110.361 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.54 -33.95 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.684 -178.113 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 59' ' ' VAL . . . -69.11 -38.78 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.528 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.41 -37.77 77.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.422 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.3 m-30 -66.39 -63.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.5 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.586 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -46.22 -26.66 0.83 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.073 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 84.1 tt0 -87.15 -21.04 26.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -87.97 -36.71 16.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.29 -74.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.581 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 167.41 41.79 0.02 OUTLIER Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.315 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.17 108.05 11.41 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.464 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 51.6 Cg_exo -51.9 -49.47 17.2 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.563 2.175 . . . . 0.0 111.887 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.639 ' C ' ' H ' ' A' ' 72' ' ' ARG . 23.8 p -169.04 15.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.385 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t 57.79 -4.84 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' H ' ' C ' ' A' ' 70' ' ' SER . 74.7 ttt180 -88.16 -35.69 17.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 110.413 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.52 -39.61 81.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.789 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 96.1 mtt180 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.667 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.971 0.415 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.3 p -71.15 -155.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.675 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.52 -27.53 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.21 48.82 0.13 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.7 tt0 -58.61 -23.54 59.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.47 -23.69 12.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.69 -52.58 56.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -85.05 19.81 2.06 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.022 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.1 mm? -119.68 -36.4 3.33 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.85 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.561 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.3 pt -59.96 -44.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.779 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -83.37 -20.81 33.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.982 0.42 . . . . 0.0 111.277 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.93 -41.15 78.51 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.423 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.6 pp -91.32 -40.1 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.561 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 89.0 t -62.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 46.5 mm-40 -77.39 3.85 12.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.351 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.56 0.19 3.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.578 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -91.26 -107.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 0.0 111.152 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -121.23 102.02 8.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.286 0.565 . . . . 0.0 110.721 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -59.96 -37.0 78.31 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.961 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -65.43 -33.9 77.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.56 79.83 54.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.324 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.23 167.96 24.71 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.737 2.291 . . . . 0.0 112.784 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -102.76 160.14 14.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 t -119.17 142.71 47.72 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.03 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 34.2 p-10 -21.49 -48.87 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.175 0.922 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.56 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 2.1 tm0? -60.34 -68.01 0.34 Allowed 'General case' 0 N--CA 1.436 -1.154 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 97.2 mt-10 -46.26 -54.85 8.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.498 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -39.26 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.39 72.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.487 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.78 -50.18 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.693 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.79 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.106 0.479 . . . . 0.0 110.458 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.4 mp -60.46 -30.86 69.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.677 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -79.33 -7.89 58.67 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.95 -11.89 34.91 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.96 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -100.36 -62.15 1.28 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.496 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.78 31.08 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.372 -0.918 . . . . 0.0 111.688 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -108.74 -23.15 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.147 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.72 42.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.835 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.3 p -89.84 154.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.42 156.64 18.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.925 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.87 -25.49 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.697 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 11.0 mpt_? -66.31 -37.94 86.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.157 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -82.8 -41.7 18.8 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.327 0.584 . . . . 0.0 110.431 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -33.15 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.544 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.24 -42.7 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.908 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.82 -37.95 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.3 m-30 -65.28 -56.19 14.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.235 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -48.68 -28.24 3.42 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.227 -179.503 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -85.84 -18.72 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.965 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' TYR . 5.9 ptm -91.29 -29.62 17.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.439 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -76.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.34 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.44 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mt -51.36 132.7 33.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.774 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.606 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.6 Cg_endo -71.63 -63.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.139 1.893 . . . . 0.0 111.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 72' ' ' ARG . 51.8 p -142.9 5.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m 69.75 -13.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttp180 -85.5 -34.07 21.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.168 0.509 . . . . 0.0 110.333 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.79 -41.06 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.972 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.594 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 50.8 mtm180 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.661 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.086 0.469 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.8 p -75.46 -152.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.598 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.13 -30.07 67.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.7 47.99 0.11 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.8 tt0 -56.32 -17.23 7.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.775 0.321 . . . . 0.0 110.507 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -112.47 -25.19 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.012 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.02 -48.35 76.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.617 -179.345 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' HG2' ' A' ' 22' ' ' MET . 2.4 pttp -85.92 14.53 5.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.366 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 4.0 mm? -113.18 -37.25 4.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.946 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.576 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.3 pt -56.44 -48.03 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.972 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.0 ptpt -79.74 -31.77 41.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.12 0.486 . . . . 0.0 111.585 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -70.45 -38.89 74.57 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.825 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -83.87 -37.67 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.176 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.8 t -66.46 -34.76 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.457 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.55 -5.02 59.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.856 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.01 -12.18 16.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.198 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -96.3 -108.52 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -113.53 99.29 7.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.93 -37.25 86.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.421 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -1.65 11.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.705 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -150.25 76.31 8.57 Favored Pre-proline 0 CA--C 1.518 -0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 109.84 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.16 154.38 67.96 Favored 'Trans proline' 0 C--N 1.295 -2.258 0 C-N-CA 123.015 2.476 . . . . 0.0 112.729 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.475 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.6 m-85 -87.87 -177.11 5.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.154 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.3 t -131.97 140.67 49.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.682 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 41.0 p-10 -22.22 -48.24 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.104 0 O-C-N 123.894 0.747 . . . . 0.0 111.424 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.1 tp60 -62.42 -52.96 61.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.782 0.325 . . . . 0.0 111.648 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 42' ' ' GLU . 43.9 mp0 -63.35 -49.48 73.71 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.556 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -41.52 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.47 75.86 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.026 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.14 -51.86 41.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.915 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.32 -38.91 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 0.0 110.188 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.4 mp -61.27 -32.38 72.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.025 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -75.01 -10.89 59.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.496 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.54 -18.04 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -91.41 -68.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.188 0.518 . . . . 0.0 110.131 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.34 29.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.47 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' VAL . 71.8 m-85 -106.74 -16.12 14.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.14 36.88 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.555 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 52' ' ' PHE . 12.4 p -88.83 141.53 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.93 163.96 16.09 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.919 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.554 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.5 ttm180 -64.21 -21.42 66.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.607 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.8 mmt-85 -67.61 -40.47 84.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.074 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -81.82 -43.63 18.02 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.397 0.618 . . . . 0.0 110.441 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.449 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -64.57 -32.04 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.034 -178.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -73.07 -21.07 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.097 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -97.22 -4.89 38.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.0 m-30 -93.86 -55.45 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.591 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -42.83 -32.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.998 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -85.21 -24.43 27.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.1 ptm -75.69 -38.41 58.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -72.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.31 32.81 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -132.98 133.19 22.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.575 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 55.6 Cg_endo -72.15 -61.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.189 1.926 . . . . 0.0 111.761 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.568 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.7 p -147.95 5.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.452 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER 72.18 -25.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.568 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.5 ttt180 -70.5 -38.01 74.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.214 0.531 . . . . 0.0 110.067 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.36 -38.27 90.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.918 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 71' ' ' SER . 85.7 mtm180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.987 0.422 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -65.69 -159.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.16 -30.94 69.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.54 48.26 0.23 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.501 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.529 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 2.9 tt0 -61.62 -20.2 63.1 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.601 -0.352 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -115.16 -20.14 10.54 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.003 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.555 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.2 ttt -65.17 -63.92 0.99 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.298 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 22' ' ' MET . 2.8 pttp -74.27 27.17 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -124.05 -48.0 1.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.12 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.1 pt -41.21 -54.53 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.874 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.6 ptpt -81.15 -23.47 38.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.549 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.14 -39.82 71.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.161 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.9 pp -88.41 -38.09 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 71.8 t -64.16 -42.87 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.586 ' OE1' ' NH1' ' A' ' 74' ' ' ARG . 80.9 mm-40 -73.97 -5.41 41.12 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.56 -13.95 17.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.947 0.404 . . . . 0.0 110.878 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -96.21 -107.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.99 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -107.89 102.07 11.29 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.226 0.536 . . . . 0.0 110.633 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -37.61 87.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.818 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -79.12 -2.87 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.497 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -140.21 83.18 15.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.766 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' SER . 59.7 Cg_endo -71.52 153.8 60.35 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.828 2.352 . . . . 0.0 112.937 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.5 m-85 -86.32 176.07 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.465 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 42' ' ' GLU . 25.1 p -122.66 138.83 54.48 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.544 ' OD2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -25.85 -45.41 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 O-C-N 123.683 0.614 . . . . 0.0 110.623 -178.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 28.9 tp60 -62.86 -50.17 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.1 mt-10 -66.73 -48.03 70.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.907 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.643 ' CD1' HH21 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -58.99 -40.4 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.514 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.98 82.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.589 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.84 -50.08 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -66.92 -39.12 82.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.222 0.534 . . . . 0.0 110.226 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.8 mp -60.39 -30.73 69.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.74 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -76.48 -12.9 60.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.57 -19.41 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.786 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -87.49 -69.15 0.71 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.377 0.608 . . . . 0.0 109.969 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.43 29.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 54' ' ' VAL . 68.2 m-85 -106.65 -15.05 14.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.985 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 26.06 39.45 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.481 178.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -86.31 158.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.772 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -101.09 159.9 14.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.138 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -62.21 -26.81 68.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.974 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -82.7 -42.53 17.96 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 121.533 0.682 . . . . 0.0 110.889 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.21 -37.61 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.865 -177.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' HG11 ' A' ' 59' ' ' VAL . . . -66.6 -41.76 87.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.33 0.586 . . . . 0.0 110.566 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.62 -38.31 86.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.708 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.1 m-85 -66.87 -55.97 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.301 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.649 HH22 ' CB ' ' A' ' 71' ' ' SER . 2.0 ptp180 -46.26 -28.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.641 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -88.15 -24.51 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.2 ptm -79.02 -40.92 30.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.373 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' MET . 3.5 mp -60.75 -74.12 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.61 41.36 0.04 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.661 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.626 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -135.48 114.51 11.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -51.8 -48.59 20.73 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.641 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -165.04 18.5 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.339 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.649 ' CB ' HH22 ' A' ' 63' ' ' ARG . 40.0 t 60.28 -8.85 0.06 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.848 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.641 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.6 ttp180 -92.62 -32.11 14.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.373 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.85 -39.92 41.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.209 0.528 . . . . 0.0 111.582 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.586 ' NH1' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.732 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.085 0.469 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.9 p -76.21 -155.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -62.92 -28.43 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.0 45.49 0.18 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.331 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.4 tt0 -57.61 -20.42 32.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.976 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -110.56 -24.14 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.026 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.403 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 3.6 ttt -64.34 -52.86 56.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.98 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -85.24 21.12 1.77 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.1 mm? -121.14 -36.86 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.567 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.0 pt -50.58 -48.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.847 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' H ' HG13 ' A' ' 25' ' ' ILE . 11.3 pttt -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.446 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -71.26 -38.51 71.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.385 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.424 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.6 pp -88.7 -38.73 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.3 t -63.41 -43.01 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.26 -4.11 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.03 -17.13 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.36 -106.27 0.08 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -116.52 101.47 8.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -38.25 87.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.13 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -69.65 -18.46 63.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.51 83.79 53.11 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.298 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.43 164.09 35.99 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 123.012 2.475 . . . . 0.0 112.609 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.43 ' O ' ' OG ' ' A' ' 71' ' ' SER . 74.7 m-85 -97.9 164.89 12.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.277 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.6 p -110.99 139.15 46.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 6.0 p30 -21.43 -48.27 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 O-C-N 123.679 0.612 . . . . 0.0 111.193 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.588 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.5 tp60 -64.8 -50.16 67.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -64.45 -43.82 93.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.238 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -40.47 86.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.9 79.28 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.192 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.26 -49.84 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.035 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -65.18 -39.51 85.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 0.0 109.958 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.7 mp -60.37 -27.35 67.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.613 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -82.16 -9.47 59.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.636 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.04 -13.17 33.73 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.009 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -99.2 -59.35 1.74 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 120.965 0.412 . . . . 0.0 110.605 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.82 32.22 0.02 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.84 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' VAL . 81.3 m-85 -109.9 -20.11 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 29.14 40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.6 p -91.73 137.41 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.58 32.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.233 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.16 -21.86 66.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.629 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -68.39 -40.41 81.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.837 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -79.5 -43.1 23.8 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.568 0.699 . . . . 0.0 109.842 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -65.23 -32.93 60.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.331 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.619 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -72.07 -39.98 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.025 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -16.54 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.235 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.1 m-30 -88.34 -52.3 5.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.619 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -49.12 -27.83 3.79 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.475 -179.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -87.94 -20.89 25.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.3 ptm -84.1 -34.43 24.13 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.59 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 22' ' ' MET . 2.2 mp -69.9 -75.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.51 42.22 0.08 OUTLIER Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.525 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -141.05 107.16 6.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.72 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.593 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 50.5 Cg_exo -53.0 -54.66 4.7 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.523 2.149 . . . . 0.0 111.917 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -148.74 6.87 0.73 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 111.225 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER 66.74 -9.51 0.34 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.666 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.7 ttp180 -94.6 -30.23 14.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.908 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 2.9 pp20? -83.22 -35.44 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.763 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.745 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.925 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.984 0.421 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.4 p -68.12 -157.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -59.78 -28.83 67.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.297 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.23 49.84 0.13 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 2.5 tt0 -60.94 -21.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.6 pp -111.95 -22.32 11.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.6 ttp -64.2 -59.13 4.79 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.025 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -76.73 19.45 0.28 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.156 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -116.02 -43.23 3.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.0 pt -55.04 -49.26 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.587 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -83.19 -25.11 32.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.024 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -71.29 -38.3 71.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -88.4 -38.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 67.3 t -63.97 -42.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.665 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.75 -0.06 22.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.836 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.74 -7.81 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.251 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -93.73 -109.59 0.12 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.352 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -120.28 101.01 7.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.664 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.43 -37.5 81.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.272 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.57 -32.73 71.81 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.476 0.655 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -120.69 78.65 30.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 71' ' ' SER . 62.0 Cg_endo -69.65 154.64 67.92 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.574 2.183 . . . . 0.0 113.024 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -88.66 166.81 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.484 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' C ' ' A' ' 40' ' ' ASP . 19.6 p -120.04 142.53 48.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.664 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.8 p-10 -24.71 -49.61 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 124.02 0.825 . . . . 0.0 111.097 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.6 tm0? -59.59 -67.51 0.37 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.307 0.575 . . . . 0.0 109.947 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 79.6 mm-40 -42.88 -58.89 2.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.431 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -38.52 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.8 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.43 74.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.199 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -72.46 -49.11 35.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.867 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.71 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.0 mp -61.04 -28.09 68.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -78.33 -12.33 60.0 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.72 -18.8 28.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -89.53 -69.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 109.86 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.72 26.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.623 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 63.9 m-85 -103.59 -19.91 14.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.221 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 28.69 44.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.715 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -89.66 157.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -95.72 161.94 13.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.667 ' NH2' HH12 ' A' ' 57' ' ' ARG . 46.4 ttp180 -65.32 -23.32 66.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.206 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.667 HH12 ' NH2' ' A' ' 56' ' ' ARG . 9.6 mpt_? -67.03 -37.4 84.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -84.62 -42.09 15.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 110.475 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.85 -33.41 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.789 -178.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' N ' HG11 ' A' ' 59' ' ' VAL . . . -71.05 -38.15 72.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.42 -37.83 65.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.371 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CD2' HD13 ' A' ' 21' ' ' LEU . 2.9 m-30 -65.14 -48.25 74.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.877 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.597 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -68.55 -2.25 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.259 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -98.79 -24.5 14.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp -98.08 -29.74 13.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -71.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.601 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 169.39 45.44 0.03 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.518 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -148.08 127.32 6.34 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.579 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 57.5 Cg_endo -72.22 -37.09 4.87 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.066 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.577 ' C ' ' H ' ' A' ' 72' ' ' ARG . 47.5 p -175.24 6.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.621 179.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 70' ' ' SER . 16.8 p 65.18 -9.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.677 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.577 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.4 ttt180 -89.99 -34.2 16.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.408 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -71.59 -39.65 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt-85 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.423 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 121.131 0.491 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -64.77 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.518 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.93 -28.02 67.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.38 48.75 0.14 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.1 tt0 -60.03 -18.38 45.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.646 0.26 . . . . 0.0 111.145 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -115.45 -20.23 10.33 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.985 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 24' ' ' LEU . 3.8 ttp -67.43 -59.92 3.0 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.663 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -77.72 27.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.24 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.1 mm? -125.92 -47.3 1.66 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.1 pt -46.23 -51.14 4.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.122 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -82.55 -25.42 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.9 pp -84.64 -38.3 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.817 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.1 t -64.29 -42.07 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.412 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.558 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 80.4 mm-40 -77.73 -5.4 50.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.357 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -103.05 -14.27 16.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.991 0.424 . . . . 0.0 110.809 -179.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -92.39 -103.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -115.71 101.01 8.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.5 mttp -62.52 -38.55 90.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.363 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -72.06 -14.82 61.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.85 83.43 46.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.483 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.03 158.6 45.65 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.877 2.385 . . . . 0.0 112.593 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.1 m-85 -90.91 -170.92 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.375 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 p -133.78 137.08 44.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 56' ' ' ARG . 38.8 p-10 -24.83 -44.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.319 0.387 . . . . 0.0 111.377 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.8 tp60 -66.53 -48.1 70.78 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.4 mm-40 -66.17 -41.77 89.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.324 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -62.33 -41.11 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.92 82.33 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.035 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.23 -49.95 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.168 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.26 -40.17 87.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.124 0.488 . . . . 0.0 110.265 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.8 mp -60.26 -29.5 68.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.817 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -77.31 -12.39 59.95 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.69 -19.04 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -87.67 -69.4 0.69 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.436 0.636 . . . . 0.0 110.113 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 28.06 0.02 OUTLIER Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.3 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 71.2 m-85 -104.36 -22.16 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.26 0.01 OUTLIER 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.667 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 52' ' ' PHE . 6.8 p -91.19 139.8 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.749 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.59 157.64 30.2 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.394 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 40' ' ' ASP . 3.2 tmt_? -63.75 -19.95 65.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -82.07 -42.53 19.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.322 0.582 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -64.61 -34.09 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.029 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -69.96 -41.69 74.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.96 -38.25 82.56 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.435 ' C ' ' N ' ' A' ' 64' ' ' GLU . 3.0 m-30 -63.52 -51.36 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.907 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 6.5 ptp180 -48.22 -20.4 0.37 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.799 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 62' ' ' TYR . 80.2 tt0 -93.8 -22.12 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.632 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.428 ' HG3' ' N ' ' A' ' 66' ' ' LEU . 3.1 ppp? -83.01 -29.37 28.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.012 0.434 . . . . 0.0 110.505 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER -75.55 -73.09 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.45 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.56 41.57 0.02 OUTLIER Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.371 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.7 mp -136.38 124.54 15.01 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.488 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.31 -39.66 3.68 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.088 1.858 . . . . 0.0 111.47 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 72' ' ' ARG . 43.3 p -169.75 10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.578 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.426 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 11.8 p 64.85 -10.75 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.595 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.7 ttt180 -85.63 -37.04 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.223 0.535 . . . . 0.0 110.074 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.34 -39.11 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.224 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.755 -179.129 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.028 0.442 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -75.04 -159.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.685 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -33.9 61.01 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.33 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.06 51.27 0.17 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.9 tt0 -60.72 -23.16 64.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.668 0.271 . . . . 0.0 110.984 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -109.4 -20.88 12.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.008 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' LEU . 2.9 ttp -66.1 -58.56 5.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.218 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -79.39 20.82 0.52 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.044 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 4.1 mm? -118.23 -42.52 2.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.871 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.562 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.1 pt -53.66 -48.07 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.315 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.47 -27.45 27.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.885 0.374 . . . . 0.0 111.382 -179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -71.52 -35.45 70.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.128 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -89.16 -39.02 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.3 t -64.62 -42.44 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.532 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 95.9 mt-10 -75.36 -5.73 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.145 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.12 -10.98 16.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.273 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -92.75 -109.7 0.11 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.967 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -115.59 100.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.4 mttp -62.0 -38.49 88.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.393 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -62.25 -33.07 73.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 78.87 29.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.143 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.62 152.42 64.87 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.674 2.25 . . . . 0.0 112.835 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 38.7 m-85 -84.32 -177.06 6.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.591 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.2 p -133.0 140.78 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.351 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' N ' ' NH1' ' A' ' 63' ' ' ARG . 37.5 p-10 -24.08 -48.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.152 0.283 . . . . 0.0 111.492 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.6 tp60 -63.08 -50.47 70.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.766 0.317 . . . . 0.0 111.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mp0 -64.59 -44.14 91.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.878 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.36 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.29 80.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.967 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -66.32 -50.43 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.079 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.4 -40.17 87.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.265 0.555 . . . . 0.0 110.19 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.1 mp -60.84 -27.93 68.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -79.21 -11.68 59.96 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.46 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.73 -19.25 27.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -89.16 -68.35 0.78 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.321 0.581 . . . . 0.0 110.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 31.11 0.02 OUTLIER Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.094 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.615 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -109.47 -12.73 14.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 21.22 43.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.135 0 O-C-N 123.983 0.802 . . . . 0.0 110.925 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.615 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -90.38 157.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -96.72 160.2 14.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.216 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 26.7 ttm180 -61.29 -24.79 66.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -66.46 -41.11 89.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.347 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -80.35 -42.75 22.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.53 0.681 . . . . 0.0 110.338 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -33.76 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.72 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.05 -41.38 74.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.14 -39.32 82.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -65.38 -46.75 78.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.828 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.573 ' NH1' ' N ' ' A' ' 40' ' ' ASP . 15.6 ptm180 -67.75 -19.55 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.221 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.56 -23.5 25.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.651 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ptm -96.8 -31.07 12.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -71.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 110.868 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.25 36.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.426 HG12 HH11 ' A' ' 74' ' ' ARG . 3.8 mp -135.87 127.52 17.31 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.71 -42.93 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.251 1.968 . . . . 0.0 111.76 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.619 ' C ' ' H ' ' A' ' 72' ' ' ARG . 21.1 p -172.13 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.346 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' NH2' ' A' ' 63' ' ' ARG . 2.5 m 61.06 -8.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.8 ttt180 -85.17 -37.55 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.218 0.532 . . . . 0.0 110.105 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.25 -39.68 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.196 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.479 ' NH2' ' OE1' ' A' ' 30' ' ' GLU . 83.1 mtp180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.449 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 121.106 0.479 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.2 p -69.32 -153.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.44 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.498 HE21 ' NZ ' ' A' ' 23' ' ' LYS . 16.6 pt20 -60.41 -27.94 67.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.4 tt0 -54.68 -17.81 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -113.56 -25.55 8.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.37 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -63.65 -47.41 81.39 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' NZ ' HE21 ' A' ' 18' ' ' GLN . 3.7 pttt -88.62 19.75 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 4.1 mm? -120.29 -33.63 3.85 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.062 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.5 pt -62.68 -46.13 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.733 . . . . 0.0 111.096 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -84.19 -23.56 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 111.392 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.76 -39.45 76.71 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.557 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -89.85 -38.14 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.0 t -63.31 -41.49 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.384 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.523 ' CB ' ' HZ3' ' A' ' 34' ' ' LYS . 95.2 mt-10 -77.41 0.47 22.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.78 -0.23 11.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -100.35 -111.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -114.61 103.06 10.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.523 ' HZ3' ' CB ' ' A' ' 30' ' ' GLU . 67.8 mmtt -61.22 -39.53 90.61 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.262 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -70.33 -14.46 62.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.389 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -133.51 83.28 49.39 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.375 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' SER . 61.3 Cg_endo -71.97 155.29 57.65 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.92 2.413 . . . . 0.0 112.727 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -88.66 161.72 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.4 p -113.63 140.56 48.1 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.3 p-10 -27.29 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.784 0.678 . . . . 0.0 110.918 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 27.7 tp60 -62.3 -49.55 75.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.1 mm-40 -63.06 -56.35 17.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.631 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -53.26 -38.54 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.163 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.099 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.89 -50.69 54.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.432 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.67 -39.22 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.079 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.8 mp -61.4 -31.11 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -77.3 -11.8 59.88 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.507 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -87.25 -19.17 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -90.0 -70.15 0.68 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.098 0.475 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.47 20.85 0.02 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.024 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -96.58 -19.18 19.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.7 ptmt 27.32 43.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 123.842 0.714 . . . . 0.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -86.27 162.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.705 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.522 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -97.94 154.18 17.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.52 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.92 -31.74 70.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -66.27 -35.61 80.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.635 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -77.46 -44.68 28.11 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.579 0.704 . . . . 0.0 110.064 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -30.96 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.642 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 -27.1 60.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -89.54 -13.01 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.407 ' CD1' ' SD ' ' A' ' 65' ' ' MET . 2.5 m-30 -91.65 -43.05 9.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.966 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -52.57 -29.76 27.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.796 -179.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -89.35 -24.62 21.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 62' ' ' TYR . 4.8 ptm -78.02 -21.73 50.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.774 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.964 0.411 . . . . 0.0 110.905 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.08 32.3 0.02 OUTLIER Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.13 103.61 10.6 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 52.1 Cg_exo -52.21 -47.95 24.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.698 2.266 . . . . 0.0 111.686 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.591 ' C ' ' H ' ' A' ' 72' ' ' ARG . 33.9 p -162.95 12.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.503 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 3.9 t 64.27 -9.44 0.16 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.815 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.591 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttt85 -89.82 -34.57 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.57 -39.4 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.315 -179.746 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 p -75.15 -159.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -34.17 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.256 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.24 53.63 0.16 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.564 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.1 tt0 -61.67 -30.03 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.4 pp -102.6 -20.96 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 ttt -65.55 -51.37 60.34 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.95 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.5 pttt -89.39 19.88 4.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.649 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.3 mm? -119.89 -34.72 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.289 -179.073 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -85.07 -22.52 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.587 -179.021 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 75.9 tt0 -70.05 -38.93 75.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -90.07 -38.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.9 t -65.0 -41.36 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.623 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.17 -4.99 55.27 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.011 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -103.78 -13.23 16.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -90.87 -102.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -118.96 98.73 6.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -37.66 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.343 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -66.64 -20.01 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.468 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.8 83.71 52.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.71 153.7 59.38 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.894 2.396 . . . . 0.0 112.642 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.3 m-85 -83.11 -168.28 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -136.8 133.71 36.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.2 p-10 -22.18 -45.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.397 0.436 . . . . 0.0 111.054 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.586 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.5 tp60 -65.72 -50.45 64.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.49 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -63.78 -43.68 95.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.051 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.11 72.63 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.38 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.27 -51.55 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.21 -39.78 86.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.3 mp -60.91 -31.53 71.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -75.54 -12.29 60.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.68 -19.01 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.758 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.884 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.78 23.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.69 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' VAL . 70.7 m-85 -98.71 -18.05 18.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.355 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 29.62 38.77 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.698 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.7 p -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.203 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.32 18.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -65.64 -24.21 66.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -69.33 -36.33 76.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -80.86 -42.76 21.01 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.26 0.552 . . . . 0.0 110.269 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.094 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.547 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.45 -37.85 83.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.522 . . . . 0.0 110.772 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.31 -36.14 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.806 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.4 m-30 -68.61 -54.16 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.477 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -42.88 -27.42 0.18 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -93.72 -22.52 18.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.537 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.8 ptm -76.01 -37.78 58.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.487 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.401 ' N ' ' CG ' ' A' ' 65' ' ' MET . 4.1 mp -62.61 -71.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.35 -26.02 0.06 OUTLIER Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.453 -0.879 . . . . 0.0 111.225 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -69.16 115.98 37.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.029 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.564 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 65.8 Cg_exo -50.87 -52.54 8.86 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.472 2.115 . . . . 0.0 111.991 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.606 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.6 p -173.65 10.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.593 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m 65.4 -16.05 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 70' ' ' SER . 45.9 ttm-85 -71.37 -43.41 66.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.764 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 1.8 pp20? -78.32 -33.2 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.207 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.938 -179.599 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.951 0.405 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -68.14 -156.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.317 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -61.78 -29.47 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . -173.18 49.41 0.16 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.1 tt0 -60.81 -19.34 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.768 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 62' ' ' TYR . 1.7 pp -115.98 -21.9 9.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.2 ttp -63.75 -61.27 2.41 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.368 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -75.62 23.7 0.12 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -121.22 -45.78 2.33 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.565 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.2 pt -51.24 -51.56 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.728 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.13 -27.19 30.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.973 0.416 . . . . 0.0 111.553 -178.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 81.6 tt0 -71.28 -37.79 71.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.73 -36.53 9.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.356 0.41 . . . . 0.0 110.658 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.7 t -66.14 -41.6 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.27 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.12 -4.68 42.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.198 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -13.9 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.04 -105.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.002 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -115.63 99.96 7.71 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.59 -35.14 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.446 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -77.21 10.03 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.346 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -156.83 74.91 4.51 Favored Pre-proline 0 CA--C 1.521 -0.162 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.66 153.06 69.79 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 123.082 2.521 . . . . 0.0 112.827 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 21.1 m-85 -86.9 170.75 11.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 110.658 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 6.7 p -116.71 133.52 55.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 39' ' ' SER . 35.9 p-10 -24.38 -47.43 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 O-C-N 123.856 0.723 . . . . 0.0 110.822 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.3 tp60 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.8 mt-10 -62.53 -52.19 64.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.462 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.423 HD11 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.37 -38.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.711 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.79 72.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.181 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.91 -51.78 24.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.73 -39.54 85.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.249 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' HD11 ' A' ' 47' ' ' LEU . 4.0 mp -61.01 -27.99 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -78.99 -10.86 59.95 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.481 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.11 -18.34 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.3 -70.1 0.69 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 110.07 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 26.13 0.03 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.574 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 58.6 m-85 -103.74 -23.5 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.237 0.541 . . . . 0.0 110.676 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 3.2 p -86.69 159.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.414 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -97.62 160.17 14.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.558 . . . . 0.0 111.181 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.1 ttm180 -62.86 -24.58 67.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -82.65 -43.07 17.38 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.176 0.512 . . . . 0.0 110.542 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -64.08 -32.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.775 -178.489 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -73.62 -40.37 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.081 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -72.09 -34.57 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 65' ' ' MET . 2.7 m-30 -65.92 -56.39 12.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.581 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' O ' ' O ' ' A' ' 68' ' ' ILE . 1.3 ptp85 -39.89 -31.71 0.13 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.015 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 83.7 tt0 -85.22 -27.71 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -74.58 -35.78 63.03 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.627 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -70.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.22 -57.87 0.06 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.3 mt -50.21 133.59 23.88 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.685 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 -58.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.372 2.048 . . . . 0.0 111.975 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 72' ' ' ARG . 53.6 p -147.96 5.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.912 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.427 ' H ' HG23 ' A' ' 68' ' ' ILE . 1.7 p 69.6 -20.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.672 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.9 ttp180 -75.6 -36.59 60.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.113 0.483 . . . . 0.0 110.152 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.75 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.816 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.202 -179.881 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' NE2' ' O ' ' A' ' 17' ' ' THR . 1.3 t-80 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.5 mmm -65.16 -39.86 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -96.73 -178.97 4.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.535 ' HG1' ' H ' ' A' ' 19' ' ' GLY . 30.9 p -76.35 -155.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.02 -28.15 69.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.349 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.535 ' H ' ' HG1' ' A' ' 17' ' ' THR . . . -174.08 48.03 0.15 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.339 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 2.6 tt0 -60.41 -17.97 47.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 62' ' ' TYR . 1.6 pp -116.18 -23.16 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.522 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.8 ttp -63.01 -59.24 5.08 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.631 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 2.8 pttp -76.67 23.59 0.16 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.096 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -119.04 -48.17 2.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.563 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -52.17 -54.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.535 -178.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.37 -26.73 30.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.654 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 41.4 tt0 -70.73 -37.57 73.48 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.588 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -88.97 -36.71 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.414 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 69.6 t -66.26 -41.51 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -74.96 -5.02 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.658 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.52 -0.02 17.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -104.07 -111.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -105.26 100.85 10.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -37.37 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -75.69 -6.9 52.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -137.99 82.93 24.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.18 153.42 56.83 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.694 2.263 . . . . 0.0 112.651 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 21.2 m-85 -87.25 178.38 6.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.2 p -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.929 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.0 p-10 -22.48 -47.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.64 0.587 . . . . 0.0 111.147 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 35.1 tp60 -65.31 -49.77 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.768 0.318 . . . . 0.0 111.598 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.638 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.4 mp0 -63.66 -48.55 76.75 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.419 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -40.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.19 77.59 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.014 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -66.19 -50.6 63.32 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.665 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mt -65.84 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.1 mp -61.99 -30.19 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -76.7 -12.86 60.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -86.89 -19.11 29.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.996 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -89.8 -68.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.42 28.61 0.02 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.276 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 54' ' ' VAL . 59.6 m-85 -108.24 -13.3 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' HZ3' ' CB ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER 19.91 46.29 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.984 0.802 . . . . 0.0 110.96 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -93.0 139.94 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.695 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 152.93 38.45 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' NH1' ' C7 ' ' B' ' 104' ' ' ' DT' . 5.0 tmm_? -60.93 -22.38 64.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.276 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.665 ' HE ' ' H42' ' C' ' 123' ' ' ' DC' . 83.2 mtt85 -65.88 -39.84 91.05 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.079 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -82.02 -42.2 19.64 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.415 0.626 . . . . 0.0 110.464 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -61.54 -33.9 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.4 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' HG11 ' A' ' 59' ' ' VAL . . . -71.08 -40.35 71.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.134 0.492 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.692 ' HZ2' ' H42' ' B' ' 107' ' ' ' DC' . 97.8 mttt -68.07 -37.24 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.641 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.554 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.2 m-30 -67.02 -59.37 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.406 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.64 HH21 " C3'" ' B' ' 104' ' ' ' DT' . 10.5 ptt85 -43.24 -28.47 0.31 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.435 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -84.68 -30.61 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.1 ptm -73.95 -41.77 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' CG ' ' A' ' 65' ' ' MET . 0.4 OUTLIER -61.2 -54.79 39.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.144 0.497 . . . . 0.0 110.908 -179.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.576 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 151.88 34.35 0.03 OUTLIER Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.344 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.1 mp -129.6 130.23 23.23 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.818 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.596 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 56.9 Cg_endo -72.11 -44.68 0.81 Allowed 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.443 2.095 . . . . 0.0 112.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 72' ' ' ARG . 16.6 p -171.98 13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.365 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m 61.27 -7.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.608 ' H ' ' C ' ' A' ' 70' ' ' SER . 73.4 ttt180 -86.32 -35.61 19.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.132 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.97 -39.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.877 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt180 -61.78 -38.47 88.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.733 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -66.73 -45.48 78.52 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.516 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 C--N 1.32 -0.678 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.624 -179.238 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.451 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.131 0 O4'-C1'-C2' 107.905 1.64 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.451 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.622 0 C1'-O4'-C4' 107.775 -1.375 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.249 0 C1'-O4'-C4' 107.085 -1.868 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.64 " C3'" HH21 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.76 0 C4'-C3'-C2' 105.304 2.104 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.542 ' P ' ' NH2' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-C2' 108.216 1.923 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C1'-N19 106.821 -1.223 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . 0.692 ' H42' ' HZ2' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -2.775 0 O4'-C1'-C2' 108.1 1.818 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.111 0 O4'-C1'-C2' 108.279 1.981 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.11 0 O5'-C5'-C4' 112.22 1.443 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.577 ' N7 ' ' H72' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.16 0 C4'-C3'-C2' 101.492 -1.708 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.577 ' H72' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 O4'-C1'-C2' 108.202 1.911 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.559 0 C1'-O4'-C4' 107.2 -1.785 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.095 0 C4'-C3'-C2' 105.123 1.923 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.187 0 O4'-C1'-N19 105.766 -2.543 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-C2' 108.076 1.796 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.479 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C1'-C2' 108.068 1.789 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.604 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-C2' 107.847 1.588 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.604 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 C4'-C3'-C2' 104.634 1.434 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.505 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-C2' 108.496 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.554 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.038 0 O4'-C4'-C3' 107.625 2.025 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C4'-C3' 107.935 2.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.509 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.701 0 O4'-C1'-N19 106.226 -1.967 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.665 ' H42' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 C4'-C3'-C2' 104.876 1.676 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 0 O4'-C1'-C2' 107.626 1.387 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O3'-P-O5' 101.173 -1.488 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.184 0 O4'-C1'-C2' 107.538 1.308 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.564 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.801 0 C4'-C3'-C2' 105.31 2.11 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.564 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.263 0 O4'-C1'-N19 106.358 -1.803 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.705 ' H2 ' ' NZ ' ' A' ' 53' ' ' LYS . 98.0 m-70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 16' ' ' LEU . 67.3 mtt 57.75 56.52 4.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 15' ' ' MET . 13.5 mt -47.47 178.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.2 p -68.57 -159.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -59.92 -30.87 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.486 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.57 48.54 0.2 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 2.3 tt0 -61.87 -21.03 64.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.758 -0.26 . . . . 0.0 110.76 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -116.33 -20.77 9.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.17 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.502 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.8 ttp -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.912 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.1 pttp -75.77 16.75 0.36 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.194 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 22' ' ' MET . 3.9 mm? -111.4 -45.22 3.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.909 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.555 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.8 pt -52.29 -51.59 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.658 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -81.71 -29.12 33.1 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.621 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 81.4 tt0 -72.21 -36.81 69.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.85 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -85.72 -38.5 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.011 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 58.2 t -65.35 -42.35 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.23 -5.36 41.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.265 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.94 -12.65 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -96.12 -106.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -114.47 100.22 8.14 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.145 0.498 . . . . 0.0 110.089 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 36' ' ' LYS . 98.7 mttt -62.5 -38.35 89.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.803 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.03 7.88 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 34' ' ' LYS . 5.7 mtmp? -157.43 77.86 3.74 Favored Pre-proline 0 CA--C 1.519 -0.247 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.88 151.41 85.33 Favored 'Trans proline' 0 C--N 1.3 -2.016 0 C-N-CA 122.967 2.445 . . . . 0.0 112.468 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 16.1 m-85 -80.53 -176.6 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.998 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' N ' ' A' ' 42' ' ' GLU . 4.4 p -128.45 135.71 49.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' SER . 31.4 p-10 -25.72 -49.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.539 0.524 . . . . 0.0 111.369 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 32.8 tp60 -62.31 -46.8 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.431 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.9 mt-10 -67.03 -49.26 65.79 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.974 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -41.27 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 109.642 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.63 80.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.79 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.89 -49.18 68.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.235 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -66.41 -39.94 85.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.208 0.528 . . . . 0.0 109.909 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.5 mp -60.73 -31.93 71.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -75.72 -12.06 60.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.589 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.99 -19.09 27.68 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.798 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -87.77 -68.84 0.73 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.44 0.638 . . . . 0.0 110.259 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.27 29.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.16 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 71.5 m-85 -105.81 -16.61 14.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.705 ' NZ ' ' H2 ' ' A' ' 14' ' ' HIS . 0.6 OUTLIER 29.3 40.23 0.0 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.652 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.36 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.874 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -106.16 163.38 12.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -62.77 -25.1 68.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.746 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.55 ' NH1' ' OP2' ' C' ' 122' ' ' ' DG' . 9.4 mtm180 -66.4 -40.38 89.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.615 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.51 ' HG1' ' C7 ' ' C' ' 121' ' ' ' DT' . 2.4 m -81.49 -42.99 19.44 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.605 0.717 . . . . 0.0 110.309 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.47 -34.4 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.72 -177.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . . . -71.78 -33.73 68.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.555 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -83.87 -15.46 48.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.197 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 2.5 m-85 -87.51 -45.07 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.585 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.511 HH22 " H3'" ' B' ' 104' ' ' ' DT' . 18.5 ptt85 -62.12 -24.16 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.339 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' OE1' ' OP1' ' B' ' 105' ' ' ' DG' . 81.4 tt0 -83.5 -27.1 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.91 -31.19 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.712 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -70.56 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.2 33.01 0.03 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.476 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HH11 ' A' ' 74' ' ' ARG . 2.4 mt -137.46 125.29 14.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.663 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.19 -34.76 15.72 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.067 1.845 . . . . 0.0 111.781 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 72' ' ' ARG . 26.4 p -173.03 -2.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.666 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' SER . 0.8 OUTLIER 77.8 -29.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.558 0.218 . . . . 0.0 110.689 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.5 ttt-85 -69.07 -38.34 79.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.294 0.569 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.04 -38.74 91.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.973 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.431 HH11 HG12 ' A' ' 68' ' ' ILE . 83.6 mtp180 -62.62 -35.62 80.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.472 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.4 tmt_? -89.4 -71.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.01 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' ARG . 8.4 tp . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.467 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-C2' 107.924 1.658 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.467 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 C1'-O4'-C4' 107.425 -1.625 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.323 0 C1'-O4'-C4' 106.819 -2.058 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.511 " H3'" HH22 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 C4'-C3'-C2' 105.062 1.862 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.443 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 106.041 -2.199 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O5'-C5'-C4' 111.94 1.243 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 0 O4'-C1'-C2' 108.011 1.737 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.052 0 O4'-C1'-C2' 108.159 1.872 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.498 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O5'-C5'-C4' 112.686 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.498 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.286 0 C4'-C3'-C2' 101.878 -1.322 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 O4'-C1'-C2' 108.1 1.819 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.418 ' C6 ' ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.432 0 C1'-O4'-C4' 107.734 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.418 ' H71' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 C4'-C3'-C2' 105.137 1.937 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-N19 106.132 -2.085 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.878 0 O4'-C1'-C2' 108.151 1.865 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.609 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.285 0 O4'-C1'-C2' 107.843 1.585 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O3'-P-O5' 101.467 -1.333 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 C3'-C2'-C1' 104.668 1.406 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.517 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.205 0 O4'-C1'-C2' 108.337 2.034 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.578 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 107.298 1.698 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.51 ' C7 ' ' HG1' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.524 1.679 0 O4'-C4'-C3' 108.099 2.499 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.55 ' OP2' ' NH1' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.521 0 O4'-C1'-C2' 107.674 1.431 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.496 ' N4 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.786 0 C4'-C3'-C2' 104.64 1.44 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O5'-C5'-C4' 112.768 1.834 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.939 0 O4'-C1'-C2' 107.72 1.472 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.098 0 O4'-C1'-C2' 107.548 1.316 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.442 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.606 0 C4'-C3'-C2' 105.237 2.037 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.442 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 C3'-C2'-C1' 104.601 1.358 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' CD2' ' H3 ' ' A' ' 14' ' ' HIS . 1.3 p80 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.51 ' SD ' ' NZ ' ' A' ' 53' ' ' LYS . 63.5 mtt -63.19 -41.0 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.1 mt -96.63 173.57 7.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -73.07 -160.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.609 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.5 -32.22 57.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.318 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.34 52.14 0.17 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.476 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 3.2 tt0 -62.54 -19.21 63.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.581 0.229 . . . . 0.0 110.964 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -113.27 -21.22 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.569 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.6 ttp -65.03 -63.73 1.04 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.68 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -72.56 18.01 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.237 -178.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -113.02 -46.13 3.13 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.823 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.549 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.1 pt -49.7 -51.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.329 -0.549 . . . . 0.0 111.707 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' H ' HG13 ' A' ' 25' ' ' ILE . 1.6 pttp -82.84 -30.05 28.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 111.788 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 82.4 tt0 -70.42 -36.55 74.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.458 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.1 -38.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 58.6 t -66.5 -33.04 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.623 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -85.66 -5.98 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.637 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.95 -11.48 18.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -94.88 -107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -115.86 100.68 8.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.468 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.85 -38.45 88.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.318 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 40.2 ptt180 -68.0 -19.13 64.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -133.26 83.99 48.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.36 162.07 41.16 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.975 2.45 . . . . 0.0 112.655 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 19.8 m-85 -89.95 -160.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.713 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 p -145.34 131.89 19.83 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 p-10 -22.29 -47.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.905 0.384 . . . . 0.0 111.37 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 39' ' ' SER . 36.7 tp60 -64.65 -50.55 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.395 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 39' ' ' SER . 71.1 mm-40 -63.18 -43.87 97.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.5 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.422 HD11 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -61.44 -41.18 89.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.7 79.02 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.695 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.75 -51.78 45.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.231 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.6 mt -64.22 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.023 0.439 . . . . 0.0 110.461 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.3 mp -62.23 -30.99 71.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.796 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -76.12 -11.89 60.01 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.356 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -87.74 -18.7 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.996 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -90.13 -69.34 0.73 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.332 0.586 . . . . 0.0 110.098 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.74 26.39 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.628 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 54' ' ' VAL . 72.0 m-85 -104.53 -13.3 16.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.107 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' NZ ' ' SD ' ' A' ' 15' ' ' MET . 4.0 ptmt 28.12 37.75 0.0 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.56 155.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -106.78 162.94 13.35 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.743 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.653 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 3.3 ttt180 -61.13 -23.89 65.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.193 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HE ' " H2'" ' C' ' 121' ' ' ' DT' . 21.0 mtm-85 -63.95 -39.72 94.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.561 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.469 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 1.9 m -85.87 -43.06 13.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.293 0.568 . . . . 0.0 111.014 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -62.6 -33.5 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.539 -178.091 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.45 ' N ' HG12 ' A' ' 59' ' ' VAL . . . -69.11 -34.22 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.43 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.637 ' NZ ' ' H42' ' B' ' 107' ' ' ' DC' . 98.2 mttt -81.09 -20.52 41.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.142 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.3 m-30 -85.17 -39.59 17.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.486 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 8.4 ptp180 -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 16.8 pt-20 -94.53 -21.07 19.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.813 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 ptm -82.56 -35.22 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.975 0.417 . . . . 0.0 110.389 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -74.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.623 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.76 36.08 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.453 ' CG1' HH11 ' A' ' 74' ' ' ARG . 3.9 mp -125.4 106.7 27.31 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.974 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.54 -47.4 27.31 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.475 2.117 . . . . 0.0 111.738 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.626 ' C ' ' H ' ' A' ' 72' ' ' ARG . 55.2 p -170.11 15.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.73 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 t 60.37 -9.29 0.06 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.225 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.626 ' H ' ' C ' ' A' ' 70' ' ' SER . 72.1 ttt180 -87.87 -37.08 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.061 0.457 . . . . 0.0 110.255 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.08 -36.94 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.163 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.453 HH11 ' CG1' ' A' ' 68' ' ' ILE . 84.0 mtp180 -61.01 -36.16 78.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.528 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.9 ttt180 -65.42 -45.85 82.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.699 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.755 -179.163 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C4 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-C2' 107.675 1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C4 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O4'-C1'-C2' 107.547 1.316 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.157 0 C1'-O4'-C4' 106.808 -2.066 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.653 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.708 0 C4'-C3'-C2' 105.003 1.803 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.539 ' O6 ' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-C2' 108.171 1.883 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 106.722 -1.348 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . 0.637 ' H42' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 108.094 1.813 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.097 0 O4'-C1'-C2' 108.332 2.029 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.495 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.331 0 O5'-C5'-C4' 112.339 1.528 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.507 ' N7 ' ' H72' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.324 0 C4'-C3'-C2' 101.745 -1.455 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.507 ' H72' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 O4'-C1'-C2' 108.179 1.89 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.485 ' C4 ' ' O4 ' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 C1'-O4'-C4' 107.779 -1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.485 ' O4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 C4'-C3'-C2' 105.295 2.095 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.135 0 O4'-C1'-N19 106.088 -2.139 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.105 0 O4'-C1'-C2' 108.162 1.874 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.097 0 O4'-C1'-C2' 107.809 1.553 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.637 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.19 0 O4'-C1'-C2' 107.875 1.614 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.637 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.792 0 C4'-C3'-C2' 105.643 2.443 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-C2' 109.003 2.639 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.548 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C4'-C3' 107.57 1.97 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.459 " H2'" ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 108.191 2.591 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.559 ' C5 ' ' C4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 106.151 -2.061 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.559 ' C4 ' ' C5 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 C4'-C3'-C2' 104.951 1.751 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 O4'-C1'-C2' 107.697 1.451 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O3'-P-O5' 101.351 -1.394 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.229 0 O3'-P-O5' 101.684 -1.219 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.78 0 C4'-C3'-C2' 104.911 1.711 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.505 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.131 0 O4'-C1'-N19 106.337 -1.829 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.7 mtp -91.82 73.81 5.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.477 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.01 175.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.1 p -70.81 -159.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -60.21 -30.49 69.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.51 49.08 0.21 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 2.7 tt0 -62.48 -15.92 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.292 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -120.46 -21.63 6.75 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.06 0.457 . . . . 0.0 111.013 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.426 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.8 ttp -63.92 -52.81 58.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.949 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -80.65 15.69 1.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.914 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 3.6 mm? -109.19 -48.87 3.2 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -50.06 -54.85 6.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.559 0.695 . . . . 0.0 111.648 -178.128 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -73.81 -31.47 63.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.266 0.555 . . . . 0.0 111.207 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 79.4 tt0 -75.68 -41.81 52.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.271 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -69.4 -41.04 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 27.5 m -70.65 -38.62 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.077 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.36 2.39 4.93 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -116.06 -15.4 11.15 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.525 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.46 -110.94 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.87 0.367 . . . . 0.0 111.268 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -111.92 101.8 10.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.17 -39.05 91.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.316 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.3 mtt180 -62.12 -32.14 72.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.044 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -128.99 81.63 70.46 Favored Pre-proline 0 C--N 1.312 -1.023 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.414 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.06 163.87 37.06 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.394 2.063 . . . . 0.0 112.609 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 35.8 m-85 -86.92 172.86 9.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.1 p -119.16 137.98 53.24 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.624 ' CA ' HH21 ' A' ' 63' ' ' ARG . 18.7 p-10 -20.4 -48.74 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 124.042 0.839 . . . . 0.0 111.0 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 39' ' ' SER . 2.9 tm0? -60.07 -67.69 0.36 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.134 0.493 . . . . 0.0 110.143 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 96.5 mt-10 -46.72 -49.65 19.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.668 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -39.11 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.4 75.79 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -70.8 -50.74 32.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.717 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -65.55 -37.93 81.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.358 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.5 mp -60.85 -24.24 65.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.761 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -84.77 -8.86 58.66 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.35 -8.65 44.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.103 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -105.48 -63.06 1.28 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.395 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.68 46.36 0.03 OUTLIER Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.502 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -127.74 -14.86 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.578 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 21.73 44.77 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 O-C-N 124.031 0.832 . . . . 0.0 111.357 179.361 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.3 p -94.47 138.74 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.728 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.85 157.94 28.24 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.81 -22.77 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.28 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' NE ' ' N7 ' ' C' ' 122' ' ' ' DG' . 65.4 mtt85 -62.95 -40.18 96.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.059 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -85.91 -40.65 15.68 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.113 0.482 . . . . 0.0 110.558 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -30.75 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.084 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.29 44.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.91 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 60.7 mmtt -89.57 -17.9 27.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.292 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.1 m-30 -90.44 -33.96 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.342 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.624 HH21 ' CA ' ' A' ' 40' ' ' ASP . 8.8 ptp180 -57.85 -29.42 64.96 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.407 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -93.78 -20.79 19.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.408 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.409 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 5.6 ptm -75.18 -37.98 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.966 0.413 . . . . 0.0 110.349 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.44 -72.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.748 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.62 36.45 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.275 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -133.31 132.47 22.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.75 -56.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.033 1.822 . . . . 0.0 111.617 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 72' ' ' ARG . 82.0 p -147.33 3.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.245 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.7 OUTLIER 70.25 -14.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.1 ttt-85 -88.27 -32.38 18.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.53 -39.29 81.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.655 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.427 HH11 HG12 ' A' ' 68' ' ' ILE . 83.3 mtp180 -62.91 -39.73 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.229 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -64.58 -48.7 73.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.58 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 117.928 -1.035 . . . . 0.0 110.696 -179.208 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.49 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C1'-C2' 107.851 1.592 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.49 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 C1'-O4'-C4' 107.641 -1.471 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.39 0 C1'-O4'-C4' 106.805 -2.068 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.554 ' OP1' ' NH1' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 C4'-C3'-C2' 104.721 1.521 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.35 0 O4'-C1'-N19 105.889 -2.388 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.475 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.93 0 O3'-P-O5' 101.849 -1.132 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.859 0 O4'-C1'-C2' 108.031 1.755 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.027 0 O4'-C1'-C2' 108.141 1.856 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.535 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O5'-C5'-C4' 112.322 1.515 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.636 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.29 0 C4'-C3'-C2' 101.791 -1.409 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.636 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 O4'-C1'-C2' 108.121 1.838 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.419 ' C6 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.532 0 C1'-O4'-C4' 107.394 -1.647 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.419 ' H73' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 C4'-C3'-C2' 105.02 1.82 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 0 O4'-C1'-N19 106.143 -2.072 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-C2' 108.058 1.78 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.608 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.307 0 O4'-C1'-C2' 107.853 1.594 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.622 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O4'-C1'-C2' 107.77 1.518 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.622 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 C3'-C2'-C1' 104.782 1.487 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.504 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.754 0 O4'-C1'-C2' 108.431 2.119 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.55 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C4'-C3' 107.619 2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.102 0 O4'-C4'-C3' 108.11 2.51 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.429 ' O6 ' ' O6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.694 0 O4'-C1'-N19 106.576 -1.53 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 O4'-C1'-N19 106.534 -1.582 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C1'-N19 106.322 -1.848 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.594 0 O4'-C1'-C2' 107.618 1.38 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.422 -2.209 0 O3'-P-O5' 101.599 -1.264 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 C4'-C3'-C2' 105.105 1.905 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.456 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.115 0 O4'-C1'-N19 106.481 -1.648 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.507 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 2.5 p80 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.417 ' H ' " H4'" ' C' ' 120' ' ' ' DG' . 8.9 tpp -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.61 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.63 176.64 6.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' HG1' ' HB2' ' A' ' 20' ' ' GLU . 77.0 p -69.67 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.39 -30.91 65.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.9 51.85 0.15 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB2' ' HG1' ' A' ' 17' ' ' THR . 2.3 tt0 -62.41 -22.95 66.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.763 0.316 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -108.65 -21.91 12.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.94 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.504 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.3 ttp -65.84 -61.19 2.2 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.951 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -76.82 20.98 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.079 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.2 mm? -118.68 -39.79 2.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.8 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.3 pt -57.77 -46.63 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.184 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -83.34 -25.43 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 111.765 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -70.36 -39.12 74.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.396 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.7 pp -87.81 -38.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.279 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.9 t -63.35 -41.77 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.54 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -77.26 2.61 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.771 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.06 -5.78 10.49 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.422 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -95.66 -109.64 0.14 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.26 102.85 11.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.224 0.535 . . . . 0.0 110.504 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.34 -38.17 88.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.564 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -77.02 -7.51 55.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -137.52 82.87 26.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.401 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.87 152.01 51.72 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.614 2.209 . . . . 0.0 112.226 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -81.04 -163.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.919 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' GLU . 23.6 p -147.04 136.48 22.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' SER . 35.8 p-10 -25.37 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 O-C-N 123.385 0.428 . . . . 0.0 111.441 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 29.4 tp60 -64.4 -48.82 73.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.31 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' SER . 72.0 mm-40 -61.65 -56.1 23.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.401 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.1 pt -56.1 -35.51 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.07 84.91 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.637 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.0 t-20 -67.7 -50.0 59.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.871 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.29 -39.42 85.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.118 0.485 . . . . 0.0 110.355 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.6 mp -61.07 -24.06 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.839 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -84.19 -9.87 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.221 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -91.25 -10.81 40.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -102.56 -66.21 0.94 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.751 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.79 39.88 0.03 OUTLIER Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.526 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' VAL . 69.9 m-85 -120.82 -14.66 8.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.508 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HZ3' ' CB ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER 23.97 41.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.931 0.77 . . . . 0.0 110.921 179.006 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.4 p -91.01 140.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.676 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.63 159.05 21.66 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.42 -24.07 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -66.77 -38.35 86.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.513 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 4.0 m -82.22 -42.18 19.29 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.28 0.562 . . . . 0.0 110.513 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.39 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.205 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.3 84.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.575 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.624 ' HZ2' ' H42' ' B' ' 107' ' ' ' DC' . 98.3 mttt -71.45 -14.41 62.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.8 m-30 -93.25 -43.51 8.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.235 0.541 . . . . 0.0 110.85 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' ILE . 13.6 mmm180 -59.87 -7.87 1.91 Allowed 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.228 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -118.51 9.71 12.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 179.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -119.09 -34.68 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -78.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.776 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.23 -51.52 0.02 OUTLIER Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.291 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.487 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.4 mt -61.42 134.48 93.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.557 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.96 -56.95 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.181 1.92 . . . . 0.0 111.996 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 72' ' ' ARG . 35.0 p -152.74 11.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.026 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.485 ' H ' HG21 ' A' ' 68' ' ' ILE . 18.8 t 63.12 -7.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.541 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.4 ttt85 -88.22 -34.87 17.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.08 -41.63 81.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.91 -37.94 89.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -63.97 -45.7 87.94 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.421 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.666 -179.383 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.443 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-C2' 107.598 1.361 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.443 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.735 0 C1'-O4'-C4' 107.735 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.402 0 C1'-O4'-C4' 107.491 -1.578 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 C4'-C3'-C2' 105.661 2.461 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C1'-N19 106.199 -2.001 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.008 0 O5'-C5'-C4' 111.906 1.218 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . 0.624 ' H42' ' HZ2' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.582 0 O4'-C1'-C2' 108.212 1.92 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.332 0 O4'-C1'-C2' 107.91 1.646 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.236 0 O5'-C5'-C4' 112.279 1.485 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.126 0 C4'-C3'-C2' 101.677 -1.523 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.514 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.454 0 O4'-C1'-C2' 108.083 1.803 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.412 ' C6 ' ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 C1'-O4'-C4' 107.488 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.412 ' H71' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 O4'-C1'-N19 106.155 -2.056 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 0 O4'-C1'-N19 105.763 -2.546 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C1'-C2' 108.166 1.878 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.606 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.274 0 O4'-C1'-C2' 107.8 1.545 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.611 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 O4'-C1'-C2' 107.834 1.576 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.611 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.939 0 C4'-C3'-C2' 104.75 1.55 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.535 ' H41' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.417 0 O4'-C1'-C2' 108.317 2.015 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.584 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 108.017 2.417 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.746 0 O4'-C4'-C3' 107.974 2.374 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.31 0 O4'-C1'-N19 106.175 -2.031 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.202 0 O5'-C5'-C4' 112.577 1.698 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 O4'-C1'-C2' 107.768 1.517 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O3'-P-O5' 101.248 -1.449 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.044 0 O3'-P-O5' 101.509 -1.311 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C4'-C3' 108.307 2.707 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.327 0 C1'-O4'-C4' 107.354 -1.675 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' MET . 37.1 t-80 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' HIS . 98.2 mmm 38.02 40.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.85 175.15 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -70.08 -155.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -59.99 -29.54 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.06 50.12 0.13 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.0 tt0 -60.52 -18.97 55.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.644 0.259 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -112.64 -22.88 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 24' ' ' LEU . 2.8 ttp -64.26 -57.95 7.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -77.8 18.45 0.47 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.269 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.1 mm? -115.06 -43.94 3.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.074 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.566 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.6 pt -52.33 -50.11 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.603 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -82.55 -27.37 31.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.994 0.426 . . . . 0.0 111.763 -179.002 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.2 -38.76 75.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.91 -38.01 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.32 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.566 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.6 t -64.21 -42.44 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 81.1 mm-40 -74.5 -7.52 53.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.169 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.76 -12.16 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.96 -108.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.129 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -115.31 99.14 7.18 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.304 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 36' ' ' LYS . 98.7 mttt -62.58 -37.19 85.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.127 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.3 4.07 2.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.404 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 34' ' ' LYS . 47.2 mtmt -155.78 77.48 4.62 Favored Pre-proline 0 CA--C 1.519 -0.223 0 CA-C-O 121.134 0.492 . . . . 0.0 109.833 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.38 153.46 70.45 Favored 'Trans proline' 0 C--N 1.296 -2.216 0 C-N-CA 123.205 2.603 . . . . 0.0 113.127 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 33.8 m-85 -86.15 169.32 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.283 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.592 ' O ' ' N ' ' A' ' 42' ' ' GLU . 80.3 p -118.19 137.52 52.94 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 40.5 p-10 -25.3 -47.61 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 O-C-N 123.613 0.571 . . . . 0.0 111.099 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 24.7 tp60 -63.75 -49.68 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.643 0.258 . . . . 0.0 111.57 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 39' ' ' SER . 98.4 mt-10 -64.34 -50.9 65.95 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.541 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -57.67 -39.85 72.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.764 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.69 81.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.968 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -67.84 -50.41 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.396 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.47 -41.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.27 0.557 . . . . 0.0 110.15 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.9 mp -59.15 -21.49 59.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -83.14 -12.5 56.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.407 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -90.63 -14.52 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -94.15 -68.44 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 110.126 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.32 45.67 0.03 OUTLIER Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 54' ' ' VAL . 57.3 m-85 -128.57 -13.8 4.76 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 19.57 46.83 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 O-C-N 123.922 0.764 . . . . 0.0 111.523 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.6 ' N ' ' O ' ' A' ' 52' ' ' PHE . 2.1 p -90.55 152.68 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.983 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' N ' ' OP2' ' C' ' 121' ' ' ' DT' . . . -93.41 161.01 14.55 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.886 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 25.4 ttm180 -63.08 -24.96 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.457 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.709 ' N ' ' HE ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -66.04 -37.65 86.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -84.43 -42.11 15.97 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.324 0.583 . . . . 0.0 110.308 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -33.01 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.528 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.1 57.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.688 ' NZ ' ' H42' ' B' ' 107' ' ' ' DC' . 98.9 mttt -93.32 -13.6 27.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.73 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.0 m-30 -90.69 -44.96 9.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' CZ ' ' OP1' ' B' ' 104' ' ' ' DT' . 0.8 OUTLIER -61.41 -25.23 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.577 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -87.73 -20.86 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ptm -89.67 -30.46 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -72.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.611 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.76 37.59 0.04 OUTLIER Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -144.81 128.45 8.69 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.06 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.51 -51.3 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.013 1.809 . . . . 0.0 111.566 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 72' ' ' ARG . 45.9 p -156.96 6.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.004 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.407 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.9 OUTLIER 69.91 -26.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.742 -179.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' H ' ' C ' ' A' ' 70' ' ' SER . 53.0 ttt85 -69.35 -38.33 78.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.233 0.54 . . . . 0.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.928 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 84.5 mtp180 -62.42 -35.64 79.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.7 tmt_? -88.28 -72.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.901 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' ARG . 4.2 tp . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.382 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.472 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.472 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 C1'-O4'-C4' 107.387 -1.652 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 C1'-O4'-C4' 107.038 -1.901 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.512 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 C4'-C3'-C2' 104.832 1.632 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 O4'-C1'-N19 105.888 -2.391 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.505 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.0 0 O5'-C5'-C4' 111.88 1.2 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . 0.688 ' H42' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 O4'-C1'-C2' 108.175 1.886 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.11 0 O4'-C1'-C2' 108.344 2.04 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.454 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O5'-C5'-C4' 112.553 1.681 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.454 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.357 0 C4'-C3'-C2' 102.057 -1.143 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.53 0 O4'-C1'-C2' 108.023 1.748 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 C1'-O4'-C4' 107.831 -1.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 0 O4'-C1'-N19 106.081 -2.149 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.177 0 O4'-C1'-N19 105.842 -2.447 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C1'-C2' 108.131 1.846 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.348 0 O4'-C1'-C2' 108.247 1.952 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.844 0 O4'-C1'-C2' 107.853 1.594 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 C4'-C3'-C2' 104.639 1.439 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.068 0 O4'-C1'-C2' 108.412 2.101 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.518 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 P--O5' 1.614 2.063 0 O4'-C1'-C2' 108.136 1.851 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.409 ' OP2' ' N ' ' A' ' 55' ' ' ALA . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C4'-C3' 108.158 2.558 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.638 0 O4'-C1'-C2' 107.78 1.527 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 0 O4'-C1'-C2' 107.846 1.588 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 0 O4'-C1'-N19 106.221 -1.974 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.584 0 O4'-C1'-C2' 107.623 1.385 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.418 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.245 0 P-O3'-C3' 121.233 1.278 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.489 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 C4'-C3'-C2' 105.15 1.95 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.489 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.095 0 O4'-C1'-N19 106.558 -1.552 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.1 -39.51 93.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 mt -103.99 178.41 4.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -76.41 -154.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.454 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.39 -27.33 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.97 49.98 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.346 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.67 -19.7 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 62' ' ' TYR . 1.4 pp -110.24 -23.38 11.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -66.61 -48.95 67.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.57 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' MET . 4.0 pttm -90.37 20.67 4.32 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 4.3 mm? -123.24 -33.3 3.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.554 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -57.15 -47.77 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.603 -178.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' H ' HG13 ' A' ' 25' ' ' ILE . 2.5 pptp? -84.1 -23.11 30.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.255 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.47 -37.82 71.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.549 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp -89.65 -38.91 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.155 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 70.6 t -63.85 -41.82 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.403 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.489 ' OE1' ' NE ' ' A' ' 74' ' ' ARG . 79.9 mm-40 -79.21 -4.38 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.861 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -107.59 -10.42 15.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -92.3 -104.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -113.58 101.78 9.66 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.0 -37.93 86.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.489 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -73.86 -5.31 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.346 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -139.19 83.44 17.81 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.668 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.48 151.54 59.27 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.659 2.24 . . . . 0.0 112.295 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -91.16 167.2 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 41' ' ' GLN . 95.2 p -120.13 139.91 51.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.1 p-10 -23.05 -47.0 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 124.096 0.872 . . . . 0.0 110.925 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.557 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.4 tm0? -62.46 -66.65 0.51 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.222 0.534 . . . . 0.0 110.394 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 98.8 mt-10 -45.54 -54.64 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.372 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -55.89 -38.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.145 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.21 73.59 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.297 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.87 -50.49 28.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.553 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.74 -38.49 82.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.9 mp -61.7 -33.2 73.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.794 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -74.63 -10.22 59.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.316 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -90.09 -18.42 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -90.59 -70.04 0.7 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.31 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 28.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.293 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' N ' ' A' ' 54' ' ' VAL . 67.8 m-85 -106.42 -19.07 13.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.21 38.4 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.692 0.758 . . . . 0.0 110.319 178.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.0 p -89.22 145.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.962 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.76 161.17 20.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -63.54 -24.62 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.769 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.88 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -80.82 -44.61 18.21 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.534 0.683 . . . . 0.0 110.303 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -30.04 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.761 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.64 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.453 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.44 -37.74 80.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.6 m-30 -66.87 -52.37 44.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.797 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.653 HH21 ' CA ' ' A' ' 70' ' ' SER . 10.6 ptm85 -55.9 -5.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.537 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 62' ' ' TYR . 37.0 mm-40 -115.23 -1.71 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.099 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 ptm -102.97 -36.2 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.48 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.62 30.89 0.03 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.063 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.68 125.51 25.5 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' O ' ' OE1' ' A' ' 64' ' ' GLU . 76.9 Cg_exo -49.37 -44.63 33.63 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.243 1.962 . . . . 0.0 111.421 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.682 ' C ' ' H ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 163.42 32.56 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 111.912 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t 57.7 -14.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.443 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.682 ' H ' ' C ' ' A' ' 70' ' ' SER . 70.4 ttp85 -70.72 -42.92 69.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.381 0.61 . . . . 0.0 109.637 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -76.64 -36.29 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.093 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.489 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 77.3 mtp85 -59.76 -33.13 71.26 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.776 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.24 -46.65 85.91 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.909 -179.116 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.458 ' H6 ' " O5'" ' B' ' 101' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.051 0 O4'-C1'-C2' 107.382 1.165 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C4 ' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-C2' 107.535 1.305 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C4 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 C4'-C3'-C2' 104.566 1.366 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.498 ' OP1' ' NE ' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.503 0 O4'-C4'-C3' 108.01 2.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 106.041 -2.199 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.994 0 O5'-C5'-C4' 111.883 1.202 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.475 0 O4'-C1'-C2' 108.28 1.982 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O4'-C1'-C2' 108.09 1.809 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.515 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O5'-C5'-C4' 112.344 1.531 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.515 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.303 0 C4'-C3'-C2' 102.075 -1.125 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.425 ' C5 ' ' C7 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 O4'-C1'-C2' 107.952 1.683 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.425 ' C7 ' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.568 0 C1'-O4'-C4' 107.413 -1.634 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 0 O4'-C1'-N19 105.997 -2.254 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 O4'-C1'-N19 105.819 -2.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.028 0 O4'-C1'-C2' 108.264 1.968 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.148 0 O4'-C1'-C2' 108.219 1.927 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.594 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.123 0 O4'-C1'-N19 106.185 -2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.594 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.731 0 C4'-C3'-C2' 104.779 1.579 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.493 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.582 0 O4'-C1'-C2' 108.345 2.041 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.565 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.014 0 O4'-C4'-C3' 107.928 2.328 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.342 0 C4'-C3'-C2' 104.924 1.724 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 O4'-C1'-N19 105.976 -2.28 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.469 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.143 0 O5'-C5'-C4' 112.295 1.496 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.469 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.499 0 O4'-C1'-C2' 107.802 1.547 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.65 0 O4'-C1'-C2' 107.7 1.455 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.52 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.424 -2.038 0 O3'-P-O5' 101.322 -1.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.52 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.108 0 O4'-C4'-C3' 108.198 2.598 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.413 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.408 -3.494 0 C1'-O4'-C4' 107.391 -1.649 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 57.0 p-80 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.476 ' SD ' ' OP1' ' C' ' 121' ' ' ' DT' . 12.2 ttm -60.74 -44.03 97.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.07 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.85 176.38 6.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -65.04 -161.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.579 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.72 -30.67 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.58 53.68 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.571 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.5 tt0 -63.34 -31.14 72.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.3 -21.42 14.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.71 -50.47 64.75 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' C ' ' HZ2' ' A' ' 26' ' ' LYS . 3.7 pttt -91.37 18.77 6.73 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.837 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.2 mm? -119.16 -33.84 4.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -54.13 -48.11 65.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.64 -178.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' H ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -81.23 -22.59 38.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.855 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 38.9 tt0 -68.82 -40.54 79.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.599 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.6 pp -90.5 -38.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 69.8 t -63.73 -38.21 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.316 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 80.7 mm-40 -81.72 -5.71 58.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.75 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.81 -14.0 16.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.378 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.53 -105.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -118.22 100.16 7.33 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' NZ ' ' OE2' ' A' ' 30' ' ' GLU . 67.2 mttm -61.77 -38.65 88.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.542 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.7 mtt180 -61.82 -32.07 72.35 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.462 0.648 . . . . 0.0 110.979 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -122.36 81.2 45.83 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.077 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.31 158.43 54.48 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.686 2.257 . . . . 0.0 112.782 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -90.03 169.75 10.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.589 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' GLN . 10.4 p -117.23 137.79 52.14 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.924 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 p-10 -18.77 -48.36 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.063 0.852 . . . . 0.0 111.265 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 tm0? -63.16 -67.23 0.44 Allowed 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.185 0.517 . . . . 0.0 110.198 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 99.2 mt-10 -44.82 -48.69 11.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.281 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -38.8 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.6 76.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.417 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -70.89 -50.7 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.863 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.23 -37.71 80.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.8 mp -61.34 -25.16 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -82.93 -8.96 59.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.468 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -92.31 -13.09 30.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.113 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -98.56 -61.26 1.4 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.613 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.54 32.64 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.794 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 53' ' ' LYS . 66.3 m-85 -112.09 -21.02 11.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.377 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.39 42.21 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.751 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.0 p -88.81 153.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.761 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.57 156.25 17.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.68 -24.93 67.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.765 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' NH2' ' OP2' ' C' ' 122' ' ' ' DG' . 0.5 OUTLIER -67.25 -36.39 81.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.568 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 2.5 m -83.03 -43.25 16.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.308 0.575 . . . . 0.0 110.491 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -64.72 -32.58 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.871 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.56 -39.35 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.267 0.556 . . . . 0.0 110.857 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.89 -37.33 70.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.003 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.4 m-30 -68.49 -50.47 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.353 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.617 HH12 ' P ' ' B' ' 105' ' ' ' DG' . 0.7 OUTLIER -48.67 -19.26 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.332 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 1.5 tm-20 -101.98 -22.14 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.9 ptm -75.29 -39.3 59.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' N ' ' CG ' ' A' ' 65' ' ' MET . 2.9 mp -62.32 -65.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.971 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 33.95 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.78 119.62 28.96 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.234 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.594 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 69.4 Cg_exo -48.52 -63.9 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.673 2.249 . . . . 0.0 111.972 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 71' ' ' SER . 77.9 p -154.05 2.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.719 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 70' ' ' SER . 2.7 p 83.36 -23.71 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' CG ' ' OG ' ' A' ' 70' ' ' SER . 15.5 ptt180 -87.58 -28.82 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.944 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.33 -36.4 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.286 0.565 . . . . 0.0 110.641 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -64.09 -38.32 90.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.729 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -64.17 -46.89 82.0 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.769 -179.29 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.457 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C1'-C2' 107.745 1.496 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.457 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.874 0 O4'-C1'-C2' 107.611 1.373 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 C1'-O4'-C4' 106.783 -2.084 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.471 ' OP1' ' O ' ' A' ' 70' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.323 0 C4'-C3'-C2' 105.695 2.495 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.617 ' P ' HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-N19 105.898 -2.377 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 0 O4'-C1'-N19 106.776 -1.279 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.595 0 O4'-C1'-C2' 108.154 1.868 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-C2' 107.803 1.548 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.6 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.444 0 O5'-C5'-C4' 112.398 1.57 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.6 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.293 0 C4'-C3'-C2' 101.705 -1.495 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 O4'-C1'-C2' 108.002 1.729 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.409 ' C6 ' ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.741 0 C1'-O4'-C4' 107.415 -1.632 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.409 ' H71' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.986 0 O4'-C1'-N19 105.978 -2.278 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O4'-C1'-N19 105.855 -2.432 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.295 0 O4'-C1'-C2' 108.002 1.73 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-C2' 108.113 1.83 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.072 0 O4'-C1'-N19 106.351 -1.811 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 C3'-C2'-C1' 104.717 1.441 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.436 ' H41' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-C2' 108.447 2.133 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.568 ' P ' ' CG2' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-C2' 108.429 2.117 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.476 ' OP1' ' SD ' ' A' ' 15' ' ' MET . . . . . . . . 0 O4'--C4' 1.426 -1.851 0 C4'-C3'-C2' 105.42 2.22 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.486 ' OP2' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.226 0 O4'-C1'-N19 106.443 -1.697 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.229 0 O5'-C5'-C4' 112.518 1.656 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.756 0 O4'-C1'-N19 106.311 -1.861 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.583 0 O3'-P-O5' 101.353 -1.393 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.474 0 P-O3'-C3' 121.462 1.468 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 C4'-C3'-C2' 105.129 1.929 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.472 ' N6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.31 0 O4'-C1'-N19 106.158 -2.053 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.5 ttp -87.22 71.43 10.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 mt -55.52 178.59 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -74.88 -155.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -61.64 -26.91 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.97 49.88 0.12 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 3.0 tt0 -62.15 -17.23 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.6 pp -115.92 -22.47 9.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.7 ttp -63.85 -60.55 3.14 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -74.14 16.28 0.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -110.43 -50.27 2.98 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.545 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.4 pt -41.1 -54.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.726 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' H ' HG13 ' A' ' 25' ' ' ILE . 4.4 ptpt -78.26 -33.47 49.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.243 0.545 . . . . 0.0 111.637 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -70.18 -39.41 75.26 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.85 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 29' ' ' VAL . 1.7 pp -82.06 -35.27 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 123.295 0.372 . . . . 0.0 110.539 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 56.4 t -71.26 -30.97 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-O 120.723 0.296 . . . . 0.0 110.404 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.89 -4.94 58.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -103.12 -17.09 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -88.97 -106.44 0.08 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -118.72 98.41 6.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -61.27 -37.43 83.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 5.7 ptm180 -66.85 -3.83 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.718 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -157.64 80.53 3.24 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.113 0.482 . . . . 0.0 109.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.19 -172.72 0.14 Allowed 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.032 2.488 . . . . 0.0 112.6 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.9 m-85 -115.66 -170.56 1.8 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.409 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -133.34 135.23 44.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 2.8 p30 -21.33 -48.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 123.637 0.586 . . . . 0.0 111.258 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.9 tp60 -62.96 -53.26 56.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.404 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.7 mm-40 -61.33 -44.22 97.57 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.434 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 HD12 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -60.11 -40.82 84.5 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.718 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.0 -33.33 75.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.161 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -69.15 -52.78 24.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.568 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.39 -39.26 84.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.431 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.1 mp -61.5 -29.69 70.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -77.23 -10.59 59.51 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.819 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.92 -18.48 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.668 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -90.78 -69.47 0.73 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.165 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.15 31.0 0.03 OUTLIER Glycine 0 N--CA 1.465 0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.307 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 54' ' ' VAL . 62.9 m-85 -109.49 -17.09 13.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.651 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 29.28 36.1 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.849 0.833 . . . . 0.0 110.621 179.085 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.4 p -86.54 149.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.556 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.49 163.23 13.13 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 111.117 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.651 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 37.6 ttt-85 -62.83 -24.51 67.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.461 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' NE ' ' N7 ' ' C' ' 122' ' ' ' DG' . 45.7 mtt85 -63.98 -38.95 92.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.062 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.496 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 1.8 m -84.98 -44.61 12.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 121.105 0.478 . . . . 0.0 110.778 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -28.44 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.046 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.59 49.44 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.981 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -89.04 -21.13 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CE1' ' OP2' ' C' ' 120' ' ' ' DG' . 2.4 m-30 -76.79 -34.74 57.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.589 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 12.5 ptp180 -67.59 -8.51 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.64 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.518 ' CG ' ' OP1' ' B' ' 105' ' ' ' DG' . 73.7 mm-40 -96.88 -23.01 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -89.37 -23.74 22.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -72.99 0.41 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.481 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 162.17 43.87 0.02 OUTLIER Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.5 mp -136.54 122.5 13.53 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.93 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.36 -55.83 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.343 2.028 . . . . 0.0 112.114 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.599 ' C ' ' H ' ' A' ' 72' ' ' ARG . 41.6 p -154.77 8.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.091 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.26 -23.11 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.599 ' H ' ' C ' ' A' ' 70' ' ' SER . 76.8 ttt180 -70.81 -38.89 73.31 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.208 0.528 . . . . 0.0 110.112 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.74 -35.66 81.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.79 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.481 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 92.4 mtt-85 -61.89 -36.15 80.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.084 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.1 tmt_? -91.49 -75.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' ARG . 4.0 tp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.628 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.475 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C1'-C2' 107.277 1.07 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.475 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 C4'-C3'-C2' 104.872 1.672 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.402 0 O5'-C5'-C4' 112.268 1.477 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.651 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.411 0 C4'-C3'-C2' 105.262 2.062 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.518 ' OP1' ' CG ' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.695 0 O4'-C1'-C2' 108.278 1.98 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.516 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.126 0 O4'-C4'-C3' 106.672 1.072 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C1'-C2' 108.153 1.866 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-C2' 108.164 1.877 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.618 2.452 0 C4'-C3'-C2' 101.579 -1.621 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.085 0 C4'-C3'-C2' 101.75 -1.45 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-C2' 108.005 1.732 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.348 0 C1'-O4'-C4' 107.54 -1.543 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 C4'-C3'-C2' 105.438 2.238 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.038 0 O4'-C1'-N19 106.249 -1.939 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C1'-C2' 107.925 1.66 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.506 -2.23 0 O4'-C1'-C2' 107.917 1.652 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-C2' 107.831 1.574 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 C4'-C3'-C2' 104.739 1.539 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.518 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.515 0 O4'-C1'-C2' 108.175 1.886 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.558 ' OP2' ' CE1' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.016 0 O4'-C4'-C3' 107.923 2.323 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C4'-C3' 108.094 2.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.472 ' N7 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 106.702 -1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.736 0 C4'-C3'-C2' 105.015 1.815 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 0 O4'-C1'-C2' 107.568 1.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C1'-C2' 107.83 1.572 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.57 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O3'-P-O5' 101.557 -1.286 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.57 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.597 0 C4'-C3'-C2' 105.572 2.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.406 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.888 0 C3'-C2'-C1' 104.525 1.304 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' A' ' 16' ' ' LEU . 11.2 t60 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' HIS . 66.0 mtt 35.15 27.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.727 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 14' ' ' HIS . 25.7 mt -69.91 174.86 4.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.4 p -71.03 -155.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.43 -27.51 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.419 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.36 50.32 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.553 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.3 tt0 -60.05 -21.07 60.95 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.74 0.305 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.3 pp -108.46 -21.36 12.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.42 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.2 ttp -67.29 -57.27 6.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -79.21 17.57 0.78 Allowed 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.581 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.0 mm? -117.56 -40.86 3.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.563 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -53.56 -50.21 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.192 -178.385 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -83.35 -26.99 30.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.906 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -70.65 -38.86 73.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -86.32 -38.54 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.6 t -64.86 -34.83 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -83.64 -6.93 59.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.98 -10.31 18.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -92.81 -107.72 0.11 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -115.52 101.03 8.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.473 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.747 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 89.7 mtt180 -65.64 -22.8 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.454 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.18 81.38 70.58 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.338 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.47 155.74 62.94 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.85 2.367 . . . . 0.0 112.917 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -86.76 -160.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.658 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 10.9 p -151.98 139.04 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.033 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 3.6 p30 -21.87 -54.57 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 O-C-N 123.943 0.777 . . . . 0.0 111.26 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.2 tm0? -60.55 -67.3 0.41 Allowed 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 121.115 0.484 . . . . 0.0 109.9 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 95.0 mt-10 -39.94 -60.94 0.93 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.378 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 pt -53.9 -35.79 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.13 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.402 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -70.94 -49.8 41.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.994 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -64.17 -39.49 85.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.228 0.537 . . . . 0.0 110.262 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' N ' HD13 ' A' ' 47' ' ' LEU . 3.9 mp -60.55 -27.58 67.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.861 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -77.79 -13.48 59.88 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.04 -18.73 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -88.82 -69.65 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.347 0.594 . . . . 0.0 110.082 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 25.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' LYS . 63.9 m-85 -103.17 -23.72 13.62 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.014 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 30.98 43.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.701 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.76 144.44 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.15 158.43 26.33 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.416 HH12 ' H73' ' B' ' 104' ' ' ' DT' . 5.4 tmm_? -64.4 -21.38 66.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' NH1' ' OP2' ' C' ' 122' ' ' ' DG' . 8.2 mtt180 -66.99 -40.11 87.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.263 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -81.82 -42.69 19.31 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-O 121.271 0.558 . . . . 0.0 110.361 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.54 -33.95 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.684 -178.113 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 59' ' ' VAL . . . -69.11 -38.78 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.528 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.41 -37.77 77.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.422 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.3 m-30 -66.39 -63.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.5 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.586 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -46.22 -26.66 0.83 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.073 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 84.1 tt0 -87.15 -21.04 26.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -87.97 -36.71 16.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.29 -74.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.581 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 167.41 41.79 0.02 OUTLIER Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.315 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.17 108.05 11.41 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.464 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 51.6 Cg_exo -51.9 -49.47 17.2 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.563 2.175 . . . . 0.0 111.887 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.639 ' C ' ' H ' ' A' ' 72' ' ' ARG . 23.8 p -169.04 15.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.385 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t 57.79 -4.84 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' H ' ' C ' ' A' ' 70' ' ' SER . 74.7 ttt180 -88.16 -35.69 17.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 110.413 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.52 -39.61 81.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.789 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 96.1 mtt180 -62.83 -38.19 89.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.667 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.0 ttt180 -67.29 -47.06 71.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.583 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.641 -179.289 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.487 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.019 0 O4'-C1'-C2' 107.888 1.625 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.487 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 C1'-O4'-C4' 107.625 -1.482 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 C1'-O4'-C4' 107.324 -1.697 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.442 ' OP2' ' N ' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.418 -2.548 0 C4'-C3'-C2' 105.376 2.176 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.466 ' P ' ' NH1' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.689 0 O4'-C1'-N19 106.323 -1.846 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O5'-C5'-C4' 112.074 1.339 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 O4'-C1'-C2' 108.068 1.789 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.074 0 O4'-C1'-C2' 108.07 1.791 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.513 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O5'-C5'-C4' 112.486 1.633 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.513 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.287 0 C4'-C3'-C2' 101.748 -1.452 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.402 ' C5 ' ' C7 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C1'-C2' 108.005 1.732 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.405 ' C6 ' ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.628 0 C1'-O4'-C4' 107.424 -1.626 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.405 ' H71' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 C4'-C3'-C2' 105.287 2.087 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 O4'-C1'-N19 106.135 -2.081 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-C2' 108.002 1.729 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C1'-C2' 107.939 1.672 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.626 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.183 0 O3'-P-O5' 101.25 -1.447 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.626 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 C4'-C3'-C2' 104.907 1.707 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.463 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.456 0 O4'-C1'-C2' 108.418 2.107 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.557 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.526 1.926 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C4'-C3' 108.113 2.513 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.561 ' OP2' ' NH1' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.65 0 O4'-C1'-N19 106.564 -1.545 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 0 C4'-C3'-C2' 104.896 1.696 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-N19 106.589 -1.513 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.505 0 O3'-P-O5' 101.162 -1.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.361 0 O3'-P-O5' 101.539 -1.295 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 C4'-C3'-C2' 105.152 1.952 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.96 0 O4'-C1'-N19 106.515 -1.606 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 53' ' ' LYS . 92.5 m-70 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptp -122.46 69.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -67.54 172.65 4.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 111.304 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.3 p -71.15 -155.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.675 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.52 -27.53 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.21 48.82 0.13 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.7 tt0 -58.61 -23.54 59.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.47 -23.69 12.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.69 -52.58 56.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -85.05 19.81 2.06 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.022 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.1 mm? -119.68 -36.4 3.33 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.85 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.561 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.3 pt -59.96 -44.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.779 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -83.37 -20.81 33.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.982 0.42 . . . . 0.0 111.277 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.93 -41.15 78.51 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.423 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.6 pp -91.32 -40.1 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.561 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 89.0 t -62.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 46.5 mm-40 -77.39 3.85 12.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.351 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.56 0.19 3.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.578 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -91.26 -107.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 0.0 111.152 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -121.23 102.02 8.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.286 0.565 . . . . 0.0 110.721 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -59.96 -37.0 78.31 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.961 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -65.43 -33.9 77.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.56 79.83 54.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.324 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.23 167.96 24.71 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.737 2.291 . . . . 0.0 112.784 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -102.76 160.14 14.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 t -119.17 142.71 47.72 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.03 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 34.2 p-10 -21.49 -48.87 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.175 0.922 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.56 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 2.1 tm0? -60.34 -68.01 0.34 Allowed 'General case' 0 N--CA 1.436 -1.154 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 97.2 mt-10 -46.26 -54.85 8.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.498 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -39.26 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.39 72.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.487 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.78 -50.18 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.693 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.79 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.106 0.479 . . . . 0.0 110.458 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.4 mp -60.46 -30.86 69.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.677 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -79.33 -7.89 58.67 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.95 -11.89 34.91 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.96 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -100.36 -62.15 1.28 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.496 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.78 31.08 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.372 -0.918 . . . . 0.0 111.688 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -108.74 -23.15 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.147 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER 29.72 42.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.835 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.3 p -89.84 154.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.42 156.64 18.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.925 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.87 -25.49 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.697 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 11.0 mpt_? -66.31 -37.94 86.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.157 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.434 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.5 m -82.8 -41.7 18.8 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.327 0.584 . . . . 0.0 110.431 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -33.15 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.544 -178.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.24 -42.7 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.908 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.82 -37.95 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.552 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.3 m-30 -65.28 -56.19 14.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.235 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.714 HH12 ' P ' ' B' ' 105' ' ' ' DG' . 0.1 OUTLIER -48.68 -28.24 3.42 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.227 -179.503 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 82.1 tt0 -85.84 -18.72 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.965 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' TYR . 5.9 ptm -91.29 -29.62 17.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.439 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -76.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.34 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.44 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mt -51.36 132.7 33.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.774 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.606 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.6 Cg_endo -71.63 -63.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.139 1.893 . . . . 0.0 111.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.52 ' C ' ' H ' ' A' ' 72' ' ' ARG . 51.8 p -142.9 5.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m 69.75 -13.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttp180 -85.5 -34.07 21.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.168 0.509 . . . . 0.0 110.333 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.79 -41.06 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.972 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.594 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 50.8 mtm180 -64.08 -39.34 93.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.661 -179.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -47.22 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.692 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.672 -179.232 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.472 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.121 0 O4'-C1'-C2' 107.635 1.396 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.472 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 O4'-C1'-C2' 107.609 1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.206 0 C1'-O4'-C4' 107.029 -1.908 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.457 ' OP2' ' N ' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.416 -2.717 0 C4'-C3'-C2' 105.359 2.159 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.714 ' P ' HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 106.286 -1.892 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.442 ' N2 ' ' O2 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O5'-C5'-C4' 111.835 1.168 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 O4'-C1'-C2' 108.082 1.802 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.44 ' C2 ' ' N3 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C1'-C2' 108.181 1.892 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.501 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O5'-C5'-C4' 112.549 1.678 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.733 ' N7 ' ' H72' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.195 0 C4'-C3'-C2' 101.601 -1.599 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.733 ' H72' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-C2' 108.083 1.802 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.423 ' C4 ' ' O4 ' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 C1'-O4'-C4' 107.48 -1.586 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.423 ' O4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 C4'-C3'-C2' 105.117 1.917 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.092 0 O4'-C1'-N19 106.147 -2.066 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.173 0 O4'-C1'-C2' 108.065 1.786 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.01 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.895 0 O4'-C1'-C2' 107.974 1.704 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 C4'-C3'-C2' 105.603 2.403 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.529 ' N4 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 P--O5' 1.618 2.477 0 O4'-C1'-C2' 108.865 2.514 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.552 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.22 0 O4'-C4'-C3' 107.605 2.005 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.506 ' OP1' ' ND1' ' A' ' 14' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.065 0 O4'-C4'-C3' 108.079 2.479 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.496 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.465 0 O4'-C1'-N19 106.567 -1.541 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.496 ' N4 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 C4'-C3'-C2' 104.873 1.673 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.442 ' O2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.604 0 O4'-C1'-N19 106.548 -1.565 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.959 0 O4'-C1'-C2' 107.806 1.551 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.602 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.28 0 P-O3'-C3' 121.331 1.359 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.602 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.89 0 C4'-C3'-C2' 104.982 1.782 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.514 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 106.434 -1.708 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 50.1 p-80 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.9 mmm -64.23 -39.37 93.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt -103.12 177.82 4.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.246 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.8 p -75.46 -152.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.598 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.13 -30.07 67.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.7 47.99 0.11 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.8 tt0 -56.32 -17.23 7.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.775 0.321 . . . . 0.0 110.507 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -112.47 -25.19 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.012 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.02 -48.35 76.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.617 -179.345 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' HG2' ' A' ' 22' ' ' MET . 2.4 pttp -85.92 14.53 5.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.366 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 4.0 mm? -113.18 -37.25 4.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.946 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.576 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.3 pt -56.44 -48.03 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.972 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.0 ptpt -79.74 -31.77 41.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.12 0.486 . . . . 0.0 111.585 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -70.45 -38.89 74.57 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.825 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -83.87 -37.67 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.176 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.8 t -66.46 -34.76 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.457 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.55 -5.02 59.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.856 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.01 -12.18 16.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.198 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -96.3 -108.52 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -113.53 99.29 7.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.93 -37.25 86.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.421 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.588 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -70.31 -1.65 11.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.705 -179.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -150.25 76.31 8.57 Favored Pre-proline 0 CA--C 1.518 -0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 109.84 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.16 154.38 67.96 Favored 'Trans proline' 0 C--N 1.295 -2.258 0 C-N-CA 123.015 2.476 . . . . 0.0 112.729 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.475 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.6 m-85 -87.87 -177.11 5.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.154 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.3 t -131.97 140.67 49.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.682 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 41.0 p-10 -22.22 -48.24 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.104 0 O-C-N 123.894 0.747 . . . . 0.0 111.424 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.1 tp60 -62.42 -52.96 61.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.782 0.325 . . . . 0.0 111.648 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 42' ' ' GLU . 43.9 mp0 -63.35 -49.48 73.71 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.556 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -41.52 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.47 75.86 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.026 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.14 -51.86 41.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.915 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.32 -38.91 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 0.0 110.188 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.4 mp -61.27 -32.38 72.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.025 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -75.01 -10.89 59.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.496 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.54 -18.04 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -91.41 -68.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.188 0.518 . . . . 0.0 110.131 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.34 29.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.47 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' VAL . 71.8 m-85 -106.74 -16.12 14.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.14 36.88 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.555 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 52' ' ' PHE . 12.4 p -88.83 141.53 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.93 163.96 16.09 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.919 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.554 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.5 ttm180 -64.21 -21.42 66.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.607 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.698 ' NE ' ' H42' ' C' ' 123' ' ' ' DC' . 76.8 mmt-85 -67.61 -40.47 84.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.074 -178.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.425 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.8 m -81.82 -43.63 18.02 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.397 0.618 . . . . 0.0 110.441 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.449 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -64.57 -32.04 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.034 -178.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -73.07 -21.07 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.097 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -97.22 -4.89 38.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.0 m-30 -93.86 -55.45 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.591 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -42.83 -32.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.998 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -85.21 -24.43 27.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.1 ptm -75.69 -38.41 58.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -72.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.31 32.81 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -132.98 133.19 22.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.575 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 55.6 Cg_endo -72.15 -61.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.189 1.926 . . . . 0.0 111.761 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.568 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.7 p -147.95 5.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.452 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER 72.18 -25.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.568 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.5 ttt180 -70.5 -38.01 74.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.214 0.531 . . . . 0.0 110.067 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.36 -38.27 90.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.918 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 71' ' ' SER . 85.7 mtm180 -61.93 -35.75 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.588 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -86.58 -71.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.095 0.474 . . . . 0.0 111.113 -179.368 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.412 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 10.2 tp . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.458 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.457 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-C2' 107.645 1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.457 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.608 0 O4'-C1'-C2' 107.561 1.328 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.298 0 C1'-O4'-C4' 106.94 -1.971 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.43 ' OP2' ' N ' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.421 -2.272 0 C4'-C3'-C2' 105.378 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 105.857 -2.429 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-C2' 107.413 1.193 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.666 0 O4'-C1'-C2' 108.32 2.018 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-C2' 108.052 1.775 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.516 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.35 0 O5'-C5'-C4' 112.236 1.454 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.697 ' N7 ' ' H72' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.434 0 C4'-C3'-C2' 101.735 -1.465 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.697 ' H72' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 108.042 1.766 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.489 ' C4 ' ' O4 ' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 C1'-O4'-C4' 107.941 -1.256 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.489 ' O4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 C4'-C3'-C2' 105.253 2.053 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 O4'-C1'-N19 106.069 -2.163 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.069 0 O4'-C1'-C2' 108.164 1.876 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.157 0 O4'-C1'-C2' 107.771 1.519 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.643 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.933 0 O4'-C1'-C2' 108.014 1.74 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.643 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.438 0 C4'-C3'-C2' 105.912 2.712 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.484 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.104 0 O4'-C1'-C2' 108.652 2.32 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.53 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C4'-C3' 107.622 2.022 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C4'-C3' 108.239 2.639 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.855 0 O4'-C1'-N19 105.774 -2.533 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.698 ' H42' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.366 0 O5'-C5'-C4' 112.183 1.417 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.467 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 O4'-C1'-C2' 107.952 1.683 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O3'-P-O5' 101.365 -1.387 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.609 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.322 0 O4'-C1'-N19 106.643 -1.446 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.609 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 C4'-C3'-C2' 105.321 2.121 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.412 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 O4'-C1'-N19 106.267 -1.916 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' ' ND1' ' A' ' 14' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.0 mtp 40.51 46.82 2.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.34 171.92 7.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -65.69 -159.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.16 -30.94 69.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.54 48.26 0.23 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.501 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 2.9 tt0 -61.62 -20.2 63.1 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.601 -0.352 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -115.16 -20.14 10.54 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.003 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.555 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.2 ttt -65.17 -63.92 0.99 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.298 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 22' ' ' MET . 2.8 pttp -74.27 27.17 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -124.05 -48.0 1.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.12 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 1.1 pt -41.21 -54.53 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.874 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.6 ptpt -81.15 -23.47 38.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.549 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.14 -39.82 71.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.161 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.9 pp -88.41 -38.09 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.047 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 71.8 t -64.16 -42.87 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.586 ' OE1' ' NH1' ' A' ' 74' ' ' ARG . 80.9 mm-40 -73.97 -5.41 41.12 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.56 -13.95 17.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.947 0.404 . . . . 0.0 110.878 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -96.21 -107.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.99 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -107.89 102.07 11.29 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.226 0.536 . . . . 0.0 110.633 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -37.61 87.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.818 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 52.3 mmt-85 -79.12 -2.87 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.497 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -140.21 83.18 15.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.766 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' SER . 59.7 Cg_endo -71.52 153.8 60.35 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.828 2.352 . . . . 0.0 112.937 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.5 m-85 -86.32 176.07 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.465 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 42' ' ' GLU . 25.1 p -122.66 138.83 54.48 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' OD2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -25.85 -45.41 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 O-C-N 123.683 0.614 . . . . 0.0 110.623 -178.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 28.9 tp60 -62.86 -50.17 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.1 mt-10 -66.73 -48.03 70.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.907 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.643 ' CD1' HH21 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -58.99 -40.4 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.514 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.98 82.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.589 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.84 -50.08 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -66.92 -39.12 82.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.222 0.534 . . . . 0.0 110.226 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.8 mp -60.39 -30.73 69.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.74 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -76.48 -12.9 60.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.57 -19.41 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.786 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -87.49 -69.15 0.71 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.377 0.608 . . . . 0.0 109.969 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.43 29.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 54' ' ' VAL . 68.2 m-85 -106.65 -15.05 14.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.985 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 26.06 39.45 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.481 178.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -86.31 158.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.772 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -101.09 159.9 14.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.138 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -62.21 -26.81 68.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.562 ' NH2' ' H42' ' C' ' 124' ' ' ' DC' . 10.4 mpt_? -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.974 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.459 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.4 m -82.7 -42.53 17.96 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 121.533 0.682 . . . . 0.0 110.889 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.21 -37.61 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.865 -177.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' HG11 ' A' ' 59' ' ' VAL . . . -66.6 -41.76 87.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.33 0.586 . . . . 0.0 110.566 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.62 -38.31 86.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.708 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.574 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.1 m-85 -66.87 -55.97 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.301 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.649 HH22 ' CB ' ' A' ' 71' ' ' SER . 2.0 ptp180 -46.26 -28.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.641 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -88.15 -24.51 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.2 ptm -79.02 -40.92 30.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.373 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' MET . 3.5 mp -60.75 -74.12 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.61 41.36 0.04 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.661 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.626 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -135.48 114.51 11.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -51.8 -48.59 20.73 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.641 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -165.04 18.5 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.339 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.649 ' CB ' HH22 ' A' ' 63' ' ' ARG . 40.0 t 60.28 -8.85 0.06 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.848 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.641 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.6 ttp180 -92.62 -32.11 14.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.373 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 76' ' ' ILE . 23.8 mt-10 -77.85 -39.92 41.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.209 0.528 . . . . 0.0 111.582 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.586 ' NH1' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -60.21 -33.59 72.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.732 -179.019 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 3.1 ttt180 -64.14 -46.26 84.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.367 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.434 ' O ' ' O ' ' A' ' 73' ' ' GLU . 9.8 tp . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.635 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.477 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-C2' 107.717 1.47 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.477 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 C1'-O4'-C4' 107.559 -1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.323 0 C1'-O4'-C4' 106.782 -2.084 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.436 ' OP2' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 C4'-C3'-C2' 105.015 1.815 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 O4'-C1'-N19 106.018 -2.228 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 0 O5'-C5'-C4' 111.928 1.234 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-C2' 107.993 1.721 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.421 ' C2 ' ' N3 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.9 0 O4'-C1'-C2' 108.033 1.757 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.495 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.224 0 O5'-C5'-C4' 112.436 1.597 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.607 ' N7 ' ' H71' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.264 0 C4'-C3'-C2' 101.796 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.607 ' H71' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 O4'-C1'-C2' 108.096 1.815 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.435 ' C4 ' ' C4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 O4'-C1'-C2' 107.545 1.314 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.418 ' H73' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 C4'-C3'-C2' 105.081 1.881 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.061 0 O4'-C1'-N19 105.871 -2.411 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.972 0 O4'-C1'-C2' 108.041 1.764 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.613 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.975 0 O4'-C1'-C2' 107.771 1.519 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.816 0 O4'-C1'-C2' 108.054 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.355 0 O4'-C4'-C3' 108.317 2.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.512 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.147 0 O4'-C1'-C2' 108.639 2.309 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.574 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.992 0 O4'-C4'-C3' 107.556 1.956 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.695 0 O4'-C4'-C3' 108.127 2.527 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.463 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.573 0 O4'-C1'-C2' 107.606 1.369 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.561 ' H42' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -2.872 0 O4'-C1'-C2' 107.615 1.377 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.562 ' H42' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O5'-C5'-C4' 112.687 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.823 0 O3'-P-O5' 101.144 -1.503 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.505 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.422 -2.205 0 O3'-P-O5' 101.575 -1.277 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.52 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.706 0 C4'-C3'-C2' 105.279 2.079 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.52 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 O5'-C5'-C4' 112.201 1.43 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 51.1 p-80 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.637 ' SD ' ' NZ ' ' A' ' 53' ' ' LYS . 66.4 mtt -64.53 -40.54 95.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -85.36 179.08 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.9 p -76.21 -155.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -62.92 -28.43 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.0 45.49 0.18 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.331 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.4 tt0 -57.61 -20.42 32.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.976 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -110.56 -24.14 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.026 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.403 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 3.6 ttt -64.34 -52.86 56.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.98 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -85.24 21.12 1.77 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.1 mm? -121.14 -36.86 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.567 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 2.0 pt -50.58 -48.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.847 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' H ' HG13 ' A' ' 25' ' ' ILE . 11.3 pttt -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.446 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -71.26 -38.51 71.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.385 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.424 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.6 pp -88.7 -38.73 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.3 t -63.41 -43.01 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.26 -4.11 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.03 -17.13 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.36 -106.27 0.08 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -116.52 101.47 8.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -38.25 87.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.13 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.61 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 32.9 ptt-85 -69.65 -18.46 63.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.51 83.79 53.11 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.298 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.43 164.09 35.99 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 123.012 2.475 . . . . 0.0 112.609 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.43 ' O ' ' OG ' ' A' ' 71' ' ' SER . 74.7 m-85 -97.9 164.89 12.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.277 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.6 p -110.99 139.15 46.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 6.0 p30 -21.43 -48.27 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 O-C-N 123.679 0.612 . . . . 0.0 111.193 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.588 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.5 tp60 -64.8 -50.16 67.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -64.45 -43.82 93.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.238 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -40.47 86.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.9 79.28 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.192 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.26 -49.84 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.035 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -65.18 -39.51 85.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 0.0 109.958 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' LEU . 3.7 mp -60.37 -27.35 67.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.613 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -82.16 -9.47 59.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.636 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.04 -13.17 33.73 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.009 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -99.2 -59.35 1.74 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 120.965 0.412 . . . . 0.0 110.605 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.82 32.22 0.02 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.84 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' VAL . 81.3 m-85 -109.9 -20.11 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.637 ' NZ ' ' SD ' ' A' ' 15' ' ' MET . 0.5 OUTLIER 29.14 40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.6 p -91.73 137.41 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.51 ' H ' ' P ' ' C' ' 121' ' ' ' DT' . . . -75.1 158.58 32.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.233 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.16 -21.86 66.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.629 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' NE ' ' O6 ' ' B' ' 106' ' ' ' DG' . 2.4 tpt180 -68.39 -40.41 81.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.837 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -79.5 -43.1 23.8 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.568 0.699 . . . . 0.0 109.842 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -65.23 -32.93 60.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.331 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.619 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -72.07 -39.98 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.025 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -16.54 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.235 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CZ ' ' OP2' ' C' ' 120' ' ' ' DG' . 3.1 m-30 -88.34 -52.3 5.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.619 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -49.12 -27.83 3.79 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.475 -179.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 79.3 tt0 -87.94 -20.89 25.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.3 ptm -84.1 -34.43 24.13 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.59 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 22' ' ' MET . 2.2 mp -69.9 -75.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.51 42.22 0.08 OUTLIER Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.525 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mp -141.05 107.16 6.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.72 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.593 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 50.5 Cg_exo -53.0 -54.66 4.7 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.523 2.149 . . . . 0.0 111.917 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -148.74 6.87 0.73 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 111.225 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER 66.74 -9.51 0.34 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.666 -179.268 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.7 ttp180 -94.6 -30.23 14.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.908 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 2.9 pp20? -83.22 -35.44 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.763 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.67 -41.98 87.4 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.925 -179.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.61 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -62.33 -47.43 84.27 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.545 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' OXT' ' O ' ' A' ' 73' ' ' GLU . 9.1 tp . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.649 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.44 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C1'-C2' 107.629 1.39 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.44 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.484 0 C1'-O4'-C4' 107.503 -1.569 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 0 C1'-O4'-C4' 107.581 -1.514 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.463 ' OP1' ' O ' ' A' ' 70' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.367 0 C4'-C3'-C2' 105.781 2.581 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.463 ' OP1' ' OE2' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.724 0 O4'-C1'-N19 106.075 -2.156 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.543 ' O6 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.037 0 O5'-C5'-C4' 111.875 1.196 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 0 O4'-C1'-C2' 108.093 1.811 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.581 ' C2 ' ' C2 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.155 0 O4'-C1'-C2' 108.051 1.774 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.581 ' C2 ' ' C2 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.209 0 O5'-C5'-C4' 112.612 1.723 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.599 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.2 0 C4'-C3'-C2' 101.722 -1.478 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.469 ' C4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 O4'-C1'-C2' 107.958 1.689 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.469 ' C4 ' ' C4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.905 0 C1'-O4'-C4' 108.073 -1.162 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.403 ' H73' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.963 0 O4'-C1'-N19 106.201 -1.999 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.913 0 O4'-C1'-N19 106.104 -2.12 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.067 0 O4'-C1'-C2' 107.998 1.725 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.275 0 O4'-C1'-C2' 107.819 1.563 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.624 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.784 0 O4'-C1'-C2' 107.909 1.645 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.624 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.495 0 C4'-C3'-C2' 105.799 2.599 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.402 " C5'" ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-C2' 108.815 2.468 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.075 0 C4'-C3'-C2' 105.007 1.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.51 ' P ' ' H ' ' A' ' 55' ' ' ALA . . . . . . . . 0 O4'--C4' 1.419 -2.477 0 C4'-C3'-C2' 105.039 1.839 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O4'-C1'-N19 105.977 -2.278 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.444 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 P--O5' 1.616 2.314 0 O5'-C5'-C4' 112.339 1.528 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.444 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.62 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O3'-P-O5' 101.382 -1.378 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.094 0 O4'-C1'-N19 106.784 -1.271 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C4'-C3' 108.102 2.502 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 0 C1'-O4'-C4' 107.587 -1.509 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.668 ' CD2' ' HZ3' ' A' ' 53' ' ' LYS . 97.5 m-70 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.1 ttp 52.78 65.31 1.55 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.264 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.15 176.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.4 p -68.12 -157.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -59.78 -28.83 67.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.297 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.23 49.84 0.13 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 2.5 tt0 -60.94 -21.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.6 pp -111.95 -22.32 11.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 24' ' ' LEU . 4.6 ttp -64.2 -59.13 4.79 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.025 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -76.73 19.45 0.28 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.156 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -116.02 -43.23 3.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.0 pt -55.04 -49.26 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.587 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -83.19 -25.11 32.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.024 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -71.29 -38.3 71.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -88.4 -38.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 67.3 t -63.97 -42.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.665 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.75 -0.06 22.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.836 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.74 -7.81 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.251 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -93.73 -109.59 0.12 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.352 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -120.28 101.01 7.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.664 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.43 -37.5 81.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.272 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.3 mtt180 -60.57 -32.73 71.81 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.476 0.655 . . . . 0.0 110.569 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -120.69 78.65 30.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 71' ' ' SER . 62.0 Cg_endo -69.65 154.64 67.92 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.574 2.183 . . . . 0.0 113.024 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -88.66 166.81 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.484 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' C ' ' A' ' 40' ' ' ASP . 19.6 p -120.04 142.53 48.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.664 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.8 p-10 -24.71 -49.61 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 124.02 0.825 . . . . 0.0 111.097 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.6 tm0? -59.59 -67.51 0.37 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.307 0.575 . . . . 0.0 109.947 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 79.6 mm-40 -42.88 -58.89 2.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.431 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -38.52 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.8 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.43 74.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.199 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -72.46 -49.11 35.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.867 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.71 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.0 mp -61.04 -28.09 68.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -78.33 -12.33 60.0 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.72 -18.8 28.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -89.53 -69.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 109.86 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.72 26.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.623 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 63.9 m-85 -103.59 -19.91 14.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.221 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.668 ' HZ3' ' CD2' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 28.69 44.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.715 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -89.66 157.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -95.72 161.94 13.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.667 ' NH2' HH12 ' A' ' 57' ' ' ARG . 46.4 ttp180 -65.32 -23.32 66.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.206 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.667 HH12 ' NH2' ' A' ' 56' ' ' ARG . 9.6 mpt_? -67.03 -37.4 84.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.511 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.4 m -84.62 -42.09 15.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 110.475 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.85 -33.41 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.789 -178.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' N ' HG11 ' A' ' 59' ' ' VAL . . . -71.05 -38.15 72.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.92 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' NZ ' ' N7 ' ' B' ' 106' ' ' ' DG' . 67.4 mttm -73.42 -37.83 65.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.371 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' CZ ' ' OP2' ' C' ' 120' ' ' ' DG' . 2.9 m-30 -65.14 -48.25 74.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.877 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.597 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -68.55 -2.25 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.259 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -98.79 -24.5 14.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp -98.08 -29.74 13.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -71.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.601 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 169.39 45.44 0.03 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.518 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -148.08 127.32 6.34 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.579 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 57.5 Cg_endo -72.22 -37.09 4.87 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.066 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.577 ' C ' ' H ' ' A' ' 72' ' ' ARG . 47.5 p -175.24 6.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.621 179.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 70' ' ' SER . 16.8 p 65.18 -9.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.677 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.577 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.4 ttt180 -89.99 -34.2 16.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.408 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' ' OXT' ' A' ' 76' ' ' ILE . 21.2 mt-10 -71.59 -39.65 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt-85 -62.46 -38.46 89.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.423 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 1.4 ttt180 -65.89 -47.1 75.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.755 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' OXT' ' O ' ' A' ' 73' ' ' GLU . 10.5 tp . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.638 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.469 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.142 0 O4'-C1'-C2' 107.836 1.578 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.469 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 C1'-O4'-C4' 107.701 -1.428 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 0 C1'-O4'-C4' 106.923 -1.984 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.439 ' OP2' ' OD1' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 C4'-C3'-C2' 104.851 1.651 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-N19 105.674 -2.657 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.452 ' N7 ' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.075 0 O4'-C1'-N19 106.809 -1.238 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C1'-C2' 108.169 1.881 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.203 0 O4'-C1'-C2' 108.283 1.984 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.116 0 O4'-C1'-N19 106.612 -1.485 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.275 0 C4'-C3'-C2' 101.745 -1.455 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C1'-C2' 108.092 1.811 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.413 ' C6 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.592 0 C1'-O4'-C4' 107.521 -1.557 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.413 ' H73' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-N19 106.117 -2.104 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 105.745 -2.569 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.221 0 O4'-C1'-C2' 108.194 1.903 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.578 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.187 0 O4'-C1'-C2' 107.989 1.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.601 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.893 0 O4'-C1'-C2' 107.69 1.445 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.601 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.894 0 C4'-C3'-C2' 104.566 1.366 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.524 ' H41' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 O4'-C1'-C2' 108.475 2.159 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.585 ' OP2' ' CZ ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C4'-C3' 107.635 2.035 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.759 0 O4'-C4'-C3' 108.364 2.764 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.411 ' O6 ' ' O6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.85 0 O4'-C1'-N19 106.407 -1.742 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 0 C4'-C3'-C2' 104.92 1.72 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.789 0 O4'-C1'-N19 106.446 -1.693 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.623 0 O4'-C1'-C2' 107.755 1.504 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.441 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.442 0 O3'-P-O5' 101.547 -1.291 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.532 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.873 0 C4'-C3'-C2' 105.007 1.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.532 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.238 0 O4'-C1'-N19 106.273 -1.909 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' LEU . 5.5 t60 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' HIS . 30.5 ttp 34.0 34.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' HIS . 19.2 mt -74.26 170.93 14.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.306 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.8 p -64.77 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.518 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.93 -28.02 67.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.38 48.75 0.14 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.1 tt0 -60.03 -18.38 45.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.646 0.26 . . . . 0.0 111.145 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -115.45 -20.23 10.33 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.985 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 24' ' ' LEU . 3.8 ttp -67.43 -59.92 3.0 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.663 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -77.72 27.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.24 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.1 mm? -125.92 -47.3 1.66 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.1 pt -46.23 -51.14 4.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.122 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -82.55 -25.42 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.9 pp -84.64 -38.3 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.817 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.1 t -64.29 -42.07 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.412 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 80.4 mm-40 -77.73 -5.4 50.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.357 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -103.05 -14.27 16.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.991 0.424 . . . . 0.0 110.809 -179.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -92.39 -103.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -115.71 101.01 8.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.5 mttp -62.52 -38.55 90.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.363 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 13.8 mtp85 -72.06 -14.82 61.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.85 83.43 46.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.483 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.03 158.6 45.65 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.877 2.385 . . . . 0.0 112.593 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.1 m-85 -90.91 -170.92 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.375 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 p -133.78 137.08 44.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 56' ' ' ARG . 38.8 p-10 -24.83 -44.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.319 0.387 . . . . 0.0 111.377 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.8 tp60 -66.53 -48.1 70.78 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.4 mm-40 -66.17 -41.77 89.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.324 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -62.33 -41.11 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.92 82.33 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.035 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.23 -49.95 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.168 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.26 -40.17 87.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.124 0.488 . . . . 0.0 110.265 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.8 mp -60.26 -29.5 68.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.817 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -77.31 -12.39 59.95 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.69 -19.04 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -87.67 -69.4 0.69 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.436 0.636 . . . . 0.0 110.113 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 28.06 0.02 OUTLIER Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.3 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 71.2 m-85 -104.36 -22.16 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.26 0.01 OUTLIER 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.667 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 52' ' ' PHE . 6.8 p -91.19 139.8 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.749 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.59 157.64 30.2 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.394 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.633 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 3.2 tmt_? -63.75 -19.95 65.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.634 ' NH2' ' H42' ' C' ' 124' ' ' ' DC' . 10.6 mpt_? -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.5 ' HG1' ' C7 ' ' C' ' 121' ' ' ' DT' . 3.0 m -82.07 -42.53 19.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.322 0.582 . . . . 0.0 110.21 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -64.61 -34.09 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.029 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -69.96 -41.69 74.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.96 -38.25 82.56 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.0 m-30 -63.52 -51.36 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.907 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 6.5 ptp180 -48.22 -20.4 0.37 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.799 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 62' ' ' TYR . 80.2 tt0 -93.8 -22.12 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.632 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.428 ' HG3' ' N ' ' A' ' 66' ' ' LEU . 3.1 ppp? -83.01 -29.37 28.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.012 0.434 . . . . 0.0 110.505 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER -75.55 -73.09 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.45 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.56 41.57 0.02 OUTLIER Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.371 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.7 mp -136.38 124.54 15.01 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.488 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.31 -39.66 3.68 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.088 1.858 . . . . 0.0 111.47 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 72' ' ' ARG . 43.3 p -169.75 10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.578 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.426 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 11.8 p 64.85 -10.75 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.595 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.7 ttt180 -85.63 -37.04 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.223 0.535 . . . . 0.0 110.074 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' OXT' ' A' ' 76' ' ' ILE . 24.1 mt-10 -70.34 -39.11 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.224 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.755 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.2 ttt180 -66.41 -46.69 75.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' OXT' ' O ' ' A' ' 73' ' ' GLU . 9.3 tp . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.624 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.461 ' H6 ' " O5'" ' B' ' 101' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C1'-C2' 107.312 1.102 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.636 0 O4'-C1'-C2' 107.73 1.482 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.214 0 O5'-C5'-C4' 112.189 1.42 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.633 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 C4'-C3'-C2' 104.936 1.736 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.431 ' O6 ' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 105.997 -2.254 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.444 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O5'-C5'-C4' 111.915 1.225 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 O4'-C1'-C2' 108.18 1.891 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.4 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-C2' 108.072 1.793 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.452 0 O5'-C5'-C4' 112.552 1.68 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.555 ' N7 ' ' H72' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.339 0 C4'-C3'-C2' 101.768 -1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.555 ' H72' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-C2' 108.125 1.841 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.434 ' C6 ' ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.502 0 C1'-O4'-C4' 107.52 -1.557 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.434 ' H71' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.937 0 C4'-C3'-C2' 104.999 1.799 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.9 0 O4'-C1'-N19 105.919 -2.352 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.908 0 O4'-C1'-C2' 108.23 1.936 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.585 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-C2' 107.931 1.665 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 O3'-P-O5' 101.345 -1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.798 0 C3'-C2'-C1' 104.643 1.388 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.483 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C1'-C2' 108.406 2.097 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.557 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.612 2.012 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.5 ' C7 ' ' HG1' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 108.165 2.565 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.437 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 O4'-C1'-C2' 107.786 1.533 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.631 ' H42' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.83 0 O4'-C1'-C2' 107.841 1.582 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.634 ' H42' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O5'-C5'-C4' 112.813 1.867 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O3'-P-O5' 101.578 -1.275 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.279 0 O3'-P-O5' 101.384 -1.377 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 108.482 2.882 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.353 0 C1'-O4'-C4' 107.511 -1.564 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.9 m80 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.5 mtt -62.67 -42.03 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.115 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -101.72 178.94 4.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.876 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -75.04 -159.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.685 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -33.9 61.01 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.33 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.06 51.27 0.17 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 2.9 tt0 -60.72 -23.16 64.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.668 0.271 . . . . 0.0 110.984 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -109.4 -20.88 12.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.008 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' LEU . 2.9 ttp -66.1 -58.56 5.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.218 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -79.39 20.82 0.52 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.044 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 4.1 mm? -118.23 -42.52 2.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.871 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.562 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.1 pt -53.66 -48.07 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.315 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.47 -27.45 27.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.885 0.374 . . . . 0.0 111.382 -179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -71.52 -35.45 70.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.128 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -89.16 -39.02 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.3 t -64.62 -42.44 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.532 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 95.9 mt-10 -75.36 -5.73 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.145 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.12 -10.98 16.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.273 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -92.75 -109.7 0.11 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.967 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -115.59 100.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.4 mttp -62.0 -38.49 88.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.393 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 91.1 mtt-85 -62.25 -33.07 73.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 78.87 29.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.143 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.62 152.42 64.87 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.674 2.25 . . . . 0.0 112.835 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 38.7 m-85 -84.32 -177.06 6.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.591 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.2 p -133.0 140.78 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.351 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' N ' ' NH1' ' A' ' 63' ' ' ARG . 37.5 p-10 -24.08 -48.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.152 0.283 . . . . 0.0 111.492 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.6 tp60 -63.08 -50.47 70.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.766 0.317 . . . . 0.0 111.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mp0 -64.59 -44.14 91.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.878 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.36 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.29 80.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.967 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -66.32 -50.43 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.079 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.4 -40.17 87.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.265 0.555 . . . . 0.0 110.19 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.1 mp -60.84 -27.93 68.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -79.21 -11.68 59.96 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.46 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.73 -19.25 27.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -89.16 -68.35 0.78 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.321 0.581 . . . . 0.0 110.007 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 31.11 0.02 OUTLIER Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.094 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.615 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -109.47 -12.73 14.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 21.22 43.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.135 0 O-C-N 123.983 0.802 . . . . 0.0 110.925 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.615 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -90.38 157.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -96.72 160.2 14.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.216 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 26.7 ttm180 -61.29 -24.79 66.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.735 ' NE ' ' H42' ' C' ' 123' ' ' ' DC' . 74.4 mmt-85 -66.46 -41.11 89.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.347 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.512 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.5 m -80.35 -42.75 22.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.53 0.681 . . . . 0.0 110.338 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -33.76 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.72 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.05 -41.38 74.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.658 ' NZ ' ' H42' ' B' ' 107' ' ' ' DC' . 98.1 mttt -68.14 -39.32 82.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.56 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.2 m-30 -65.38 -46.75 78.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.828 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.573 ' NH1' ' N ' ' A' ' 40' ' ' ASP . 15.6 ptm180 -67.75 -19.55 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.221 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' OE1' ' OP1' ' B' ' 105' ' ' ' DG' . 81.2 tt0 -86.56 -23.5 25.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.651 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ptm -96.8 -31.07 12.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -71.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 110.868 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.25 36.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.426 HG12 HH11 ' A' ' 74' ' ' ARG . 3.8 mp -135.87 127.52 17.31 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.71 -42.93 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.251 1.968 . . . . 0.0 111.76 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.619 ' C ' ' H ' ' A' ' 72' ' ' ARG . 21.1 p -172.13 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.346 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' NH2' ' A' ' 63' ' ' ARG . 2.5 m 61.06 -8.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.8 ttt180 -85.17 -37.55 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.218 0.532 . . . . 0.0 110.105 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ILE . 24.0 mt-10 -70.25 -39.68 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.196 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.479 ' NH2' ' OE1' ' A' ' 30' ' ' GLU . 83.1 mtp180 -62.83 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.449 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -64.26 -46.27 84.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.533 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' A' ' 73' ' ' GLU . 8.9 tp . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.626 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.447 ' H6 ' " O5'" ' B' ' 101' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-C2' 107.384 1.167 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.581 0 O4'-C1'-C2' 107.574 1.34 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . 0.452 ' P ' ' HG ' ' A' ' 39' ' ' SER . . . . . . . . 0 O4'--C4' 1.421 -2.276 0 O5'-C5'-C4' 111.79 1.135 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.515 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.243 0 C4'-C3'-C2' 105.443 2.243 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.412 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C1'-N19 106.185 -2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 0 O5'-C5'-C4' 111.891 1.208 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . 0.658 ' H42' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.629 0 O4'-C1'-C2' 108.347 2.043 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.406 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.042 0 O4'-C1'-C2' 108.052 1.774 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.534 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.617 2.416 0 O5'-C5'-C4' 112.386 1.562 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.593 ' N7 ' ' H72' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.231 0 C4'-C3'-C2' 101.766 -1.434 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.593 ' H72' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 108.127 1.843 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.528 ' C4 ' ' O4 ' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 C1'-O4'-C4' 107.992 -1.22 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.528 ' O4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 C4'-C3'-C2' 105.11 1.91 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O4'-C1'-N19 106.174 -2.032 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.818 0 O4'-C1'-C2' 108.012 1.738 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.618 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-C2' 107.676 1.433 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.634 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.803 0 O4'-C1'-C2' 107.994 1.722 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.634 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 C4'-C3'-C2' 106.007 2.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.488 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-C2' 108.931 2.574 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.292 0 O4'-C4'-C3' 107.558 1.958 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.197 0 O4'-C4'-C3' 108.203 2.603 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 O4'-C1'-N19 105.958 -2.302 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.735 ' H42' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 P--O5' 1.616 2.319 0 O5'-C5'-C4' 112.186 1.419 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.537 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.301 0 O4'-C1'-C2' 107.921 1.656 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.014 0 O3'-P-O5' 101.378 -1.38 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.216 0 O3'-P-O5' 101.493 -1.319 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.502 ' C6 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C4'-C3' 108.451 2.851 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.502 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.397 0 C1'-O4'-C4' 107.269 -1.736 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.66 ' ND1' ' H2 ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.7 mmm -63.99 -40.14 95.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -96.5 176.69 5.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.106 0.479 . . . . 0.0 111.1 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.2 p -69.32 -153.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.44 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.498 HE21 ' NZ ' ' A' ' 23' ' ' LYS . 16.6 pt20 -60.41 -27.94 67.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.4 tt0 -54.68 -17.81 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -113.56 -25.55 8.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.37 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -63.65 -47.41 81.39 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' NZ ' HE21 ' A' ' 18' ' ' GLN . 3.7 pttt -88.62 19.75 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 4.1 mm? -120.29 -33.63 3.85 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.062 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.5 pt -62.68 -46.13 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.733 . . . . 0.0 111.096 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -84.19 -23.56 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 111.392 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.76 -39.45 76.71 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.557 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -89.85 -38.14 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.0 t -63.31 -41.49 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.384 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.523 ' CB ' ' HZ3' ' A' ' 34' ' ' LYS . 95.2 mt-10 -77.41 0.47 22.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.78 -0.23 11.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -100.35 -111.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -114.61 103.06 10.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.523 ' HZ3' ' CB ' ' A' ' 30' ' ' GLU . 67.8 mmtt -61.22 -39.53 90.61 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.262 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -70.33 -14.46 62.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.389 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -133.51 83.28 49.39 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.375 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' SER . 61.3 Cg_endo -71.97 155.29 57.65 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.92 2.413 . . . . 0.0 112.727 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -88.66 161.72 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.4 p -113.63 140.56 48.1 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.3 p-10 -27.29 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.784 0.678 . . . . 0.0 110.918 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 27.7 tp60 -62.3 -49.55 75.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.1 mm-40 -63.06 -56.35 17.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.631 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.435 HG22 HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -53.26 -38.54 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.163 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.099 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.89 -50.69 54.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.432 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.67 -39.22 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.079 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.8 mp -61.4 -31.11 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -77.3 -11.8 59.88 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.507 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -87.25 -19.17 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -90.0 -70.15 0.68 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.098 0.475 . . . . 0.0 109.925 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.47 20.85 0.02 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.024 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -96.58 -19.18 19.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.7 ptmt 27.32 43.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 123.842 0.714 . . . . 0.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -86.27 162.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.705 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.522 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -97.94 154.18 17.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.52 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.92 -31.74 70.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.671 ' HE ' ' N4 ' ' C' ' 123' ' ' ' DC' . 2.2 tpt85 -66.27 -35.61 80.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.635 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.567 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 2.9 m -77.46 -44.68 28.11 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.579 0.704 . . . . 0.0 110.064 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -30.96 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.642 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 -27.1 60.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -89.54 -13.01 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.569 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 2.5 m-30 -91.65 -43.05 9.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.966 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.591 HH22 ' P ' ' B' ' 105' ' ' ' DG' . 0.0 OUTLIER -52.57 -29.76 27.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.796 -179.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -89.35 -24.62 21.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 62' ' ' TYR . 4.8 ptm -78.02 -21.73 50.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.774 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.964 0.411 . . . . 0.0 110.905 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.08 32.3 0.02 OUTLIER Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.13 103.61 10.6 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 52.1 Cg_exo -52.21 -47.95 24.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.698 2.266 . . . . 0.0 111.686 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.591 ' C ' ' H ' ' A' ' 72' ' ' ARG . 33.9 p -162.95 12.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.503 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 3.9 t 64.27 -9.44 0.16 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.815 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.591 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttt85 -89.82 -34.57 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ILE . 19.4 mt-10 -71.57 -39.4 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -62.65 -38.49 90.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.315 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -67.22 -45.68 76.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.687 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' O ' ' O ' ' A' ' 73' ' ' GLU . 7.5 tp . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.612 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 0 O4'-C1'-C2' 107.549 1.317 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.434 ' C2 ' ' C2 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 107.342 1.129 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 C1'-O4'-C4' 107.009 -1.922 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.407 H5'' ' NH2' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.705 0 C4'-C3'-C2' 105.735 2.535 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.641 ' C5 ' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.627 0 O4'-C1'-N19 106.137 -2.078 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.56 ' O6 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 O5'-C5'-C4' 111.667 1.048 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 O4'-C1'-C2' 107.907 1.642 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.462 0 O4'-C1'-C2' 108.031 1.755 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.523 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.241 0 C4'-C3'-C2' 101.296 -1.904 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.523 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.44 0 C4'-C3'-C2' 101.62 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.88 0 O4'-C1'-C2' 107.918 1.653 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.436 0 C1'-O4'-C4' 107.688 -1.437 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.129 0 C4'-C3'-C2' 105.329 2.129 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 0 O4'-C1'-N19 105.907 -2.366 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.852 0 O4'-C1'-C2' 107.939 1.672 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.132 0 O4'-C1'-C2' 108.171 1.883 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.61 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.341 0 O4'-C1'-N19 106.422 -1.722 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.61 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.045 0 C4'-C3'-C2' 104.812 1.612 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.478 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.216 0 O4'-C1'-C2' 107.972 1.702 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.569 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 P--O5' 1.613 1.983 0 O4'-C4'-C3' 107.747 2.147 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.504 ' OP2' ' N ' ' A' ' 55' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -1.955 0 C4'-C3'-C2' 105.378 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.881 0 O4'-C1'-N19 106.735 -1.332 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.671 ' N4 ' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.175 0 O5'-C5'-C4' 112.188 1.42 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.507 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-C2' 107.658 1.416 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 0 O3'-P-O5' 100.946 -1.607 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.415 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.281 0 O3'-P-O5' 101.321 -1.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.42 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 C4'-C3'-C2' 105.394 2.194 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.434 ' C2 ' ' C2 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.998 0 O4'-C1'-N19 106.637 -1.454 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 17' ' ' THR . 11.6 t-80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 80.0 mtp -63.03 -41.12 99.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.263 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.587 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 16.7 mt -96.75 -178.56 4.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.598 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 65.5 p -75.15 -159.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -34.17 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.256 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.24 53.63 0.16 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.564 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.1 tt0 -61.67 -30.03 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.4 pp -102.6 -20.96 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 ttt -65.55 -51.37 60.34 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.95 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.5 pttt -89.39 19.88 4.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.649 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 20' ' ' GLU . 4.3 mm? -119.89 -34.72 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.289 -179.073 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -85.07 -22.52 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.587 -179.021 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 75.9 tt0 -70.05 -38.93 75.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -90.07 -38.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 53.9 t -65.0 -41.36 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.623 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.17 -4.99 55.27 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.011 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -103.78 -13.23 16.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -90.87 -102.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -118.96 98.73 6.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.03 -37.66 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.343 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.607 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 65.3 mtt180 -66.64 -20.01 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.468 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.8 83.71 52.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.71 153.7 59.38 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.894 2.396 . . . . 0.0 112.642 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.3 m-85 -83.11 -168.28 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -136.8 133.71 36.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.2 p-10 -22.18 -45.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.397 0.436 . . . . 0.0 111.054 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.586 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.5 tp60 -65.72 -50.45 64.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.49 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -63.78 -43.68 95.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.051 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.11 72.63 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.38 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.27 -51.55 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.21 -39.78 86.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.3 mp -60.91 -31.53 71.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -75.54 -12.29 60.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.68 -19.01 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.758 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.884 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.78 23.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.69 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' VAL . 70.7 m-85 -98.71 -18.05 18.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.355 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 29.62 38.77 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.698 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.7 p -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.203 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.32 18.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O6 ' ' B' ' 105' ' ' ' DG' . 8.2 tmm_? -65.64 -24.21 66.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.387 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.741 ' HE ' ' N4 ' ' C' ' 123' ' ' ' DC' . 10.9 mmt180 -69.33 -36.33 76.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -80.86 -42.76 21.01 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.26 0.552 . . . . 0.0 110.269 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.094 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.547 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.45 -37.85 83.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.522 . . . . 0.0 110.772 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.31 -36.14 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.806 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 65' ' ' MET . 3.4 m-30 -68.61 -54.16 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.477 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -42.88 -27.42 0.18 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.487 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 79.7 tt0 -93.72 -22.52 18.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.537 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.8 ptm -76.01 -37.78 58.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.487 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' N ' ' CG ' ' A' ' 65' ' ' MET . 4.1 mp -62.61 -71.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.35 -26.02 0.06 OUTLIER Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.453 -0.879 . . . . 0.0 111.225 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -69.16 115.98 37.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.029 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.564 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 65.8 Cg_exo -50.87 -52.54 8.86 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.472 2.115 . . . . 0.0 111.991 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.606 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.6 p -173.65 10.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.593 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m 65.4 -16.05 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.606 ' H ' ' C ' ' A' ' 70' ' ' SER . 45.9 ttm-85 -71.37 -43.41 66.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.764 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 1.8 pp20? -78.32 -33.2 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.207 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.38 -41.39 96.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.607 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 3.3 ttt180 -65.2 -46.02 82.39 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.619 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.52 -179.339 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.433 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C1'-C2' 107.488 1.262 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.433 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 107.502 1.274 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . 0.538 " O4'" ' NH2' ' A' ' 72' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.372 0 C1'-O4'-C4' 106.306 -2.425 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.509 ' OP1' ' NE ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.52 0 C4'-C3'-C2' 105.614 2.414 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.694 ' C6 ' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.472 0 O4'-C1'-C2' 108.326 2.023 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.578 ' C6 ' ' C4 ' ' B' ' 107' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.864 0 C4'-C3'-C2' 101.864 -1.336 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . 0.578 ' C4 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-C2' 107.788 1.534 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.162 0 O4'-C1'-C2' 108.008 1.734 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.528 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.613 1.981 0 C4'-C3'-C2' 101.313 -1.887 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.594 ' N7 ' ' H71' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 C4'-C3'-C2' 101.481 -1.719 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.594 ' H71' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.505 0 O4'-C1'-C2' 108.237 1.942 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.414 ' C6 ' ' H72' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 C1'-O4'-C4' 107.297 -1.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.414 ' H72' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.774 0 C4'-C3'-C2' 105.113 1.913 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 O4'-C1'-N19 106.007 -2.241 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C1'-C2' 107.9 1.637 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.582 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.922 0 O4'-C1'-C2' 107.867 1.606 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.624 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-C2' 107.855 1.595 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.624 ' N6 ' ' N6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.871 0 C4'-C3'-C2' 104.597 1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.51 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.262 0 O4'-C1'-C2' 108.124 1.84 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.534 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 107.848 2.248 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.894 2.294 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.632 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.706 0 O4'-C1'-N19 106.396 -1.755 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.741 ' N4 ' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.684 0 C4'-C3'-C2' 105.121 1.921 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.606 ' H41' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.265 0 O4'-C1'-C2' 107.727 1.479 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.11 0 O3'-P-O5' 101.24 -1.453 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.48 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.244 0 O3'-P-O5' 101.548 -1.29 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.48 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.87 0 C4'-C3'-C2' 105.12 1.92 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.466 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.17 0 O4'-C1'-N19 106.654 -1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' CE ' ' A' ' 53' ' ' LYS . 12.4 t60 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' HIS . 77.9 mtm 36.03 40.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.6 mt -71.37 174.89 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -68.14 -156.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.317 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -61.78 -29.47 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . -173.18 49.41 0.16 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CE2' ' A' ' 52' ' ' PHE . 3.1 tt0 -60.81 -19.34 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.768 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 62' ' ' TYR . 1.7 pp -115.98 -21.9 9.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 24' ' ' LEU . 1.2 ttp -63.75 -61.27 2.41 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.368 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -75.62 23.7 0.12 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 22' ' ' MET . 4.0 mm? -121.22 -45.78 2.33 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.565 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 3.2 pt -51.24 -51.56 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.728 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.13 -27.19 30.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.973 0.416 . . . . 0.0 111.553 -178.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 81.6 tt0 -71.28 -37.79 71.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.73 -36.53 9.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.356 0.41 . . . . 0.0 110.658 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.565 ' CG2' ' O ' ' A' ' 25' ' ' ILE . 55.7 t -66.14 -41.6 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.27 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.12 -4.68 42.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.198 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -13.9 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.04 -105.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.002 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -115.63 99.96 7.71 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.59 -35.14 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.446 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -77.21 10.03 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.346 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -156.83 74.91 4.51 Favored Pre-proline 0 CA--C 1.521 -0.162 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.66 153.06 69.79 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 123.082 2.521 . . . . 0.0 112.827 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 21.1 m-85 -86.9 170.75 11.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 110.658 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 6.7 p -116.71 133.52 55.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 39' ' ' SER . 35.9 p-10 -24.38 -47.43 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 O-C-N 123.856 0.723 . . . . 0.0 110.822 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.3 tp60 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.8 mt-10 -62.53 -52.19 64.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.462 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.423 HD11 HH22 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.37 -38.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.711 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.79 72.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.181 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.91 -51.78 24.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.73 -39.54 85.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.249 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' HD11 ' A' ' 47' ' ' LEU . 4.0 mp -61.01 -27.99 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -78.99 -10.86 59.95 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.481 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.11 -18.34 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.3 -70.1 0.69 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 110.07 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 26.13 0.03 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.574 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 58.6 m-85 -103.74 -23.5 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CE ' ' CG ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 30.62 41.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.237 0.541 . . . . 0.0 110.676 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 3.2 p -86.69 159.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.414 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -97.62 160.17 14.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.558 . . . . 0.0 111.181 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.1 ttm180 -62.86 -24.58 67.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.45 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.1 m -82.65 -43.07 17.38 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.176 0.512 . . . . 0.0 110.542 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -64.08 -32.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.775 -178.489 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -73.62 -40.37 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.081 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -72.09 -34.57 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 65' ' ' MET . 2.7 m-30 -65.92 -56.39 12.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.581 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' CZ ' ' OP1' ' B' ' 104' ' ' ' DT' . 1.3 ptp85 -39.89 -31.71 0.13 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.015 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 83.7 tt0 -85.22 -27.71 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -74.58 -35.78 63.03 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.627 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -70.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.22 -57.87 0.06 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.3 mt -50.21 133.59 23.88 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.685 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 -58.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.372 2.048 . . . . 0.0 111.975 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 72' ' ' ARG . 53.6 p -147.96 5.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.912 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.427 ' H ' HG23 ' A' ' 68' ' ' ILE . 1.7 p 69.6 -20.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.672 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.9 ttp180 -75.6 -36.59 60.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.113 0.483 . . . . 0.0 110.152 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -64.75 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.816 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.95 -36.61 84.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.202 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -86.11 -73.16 0.46 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.586 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.518 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DT' . . . . . 0.437 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O4'-C1'-C2' 107.384 1.167 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.437 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.381 0 O4'-C1'-C2' 107.637 1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.236 0 C1'-O4'-C4' 107.304 -1.711 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.534 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.496 0 C4'-C3'-C2' 105.366 2.166 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.452 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.418 -2.548 0 O4'-C1'-C2' 107.99 1.718 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.963 0 O3'-P-O5' 102.067 -1.017 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 108.116 1.832 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-C2' 108.034 1.759 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DC' . . . . . 0.547 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.051 0 C4'-C3'-C2' 101.268 -1.932 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DG' . . . . . 0.606 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.982 0 C4'-C3'-C2' 101.491 -1.709 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.606 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 O4'-C1'-C2' 108.175 1.887 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.411 ' C6 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.351 0 C1'-O4'-C4' 107.262 -1.742 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ' DT' . . . . . 0.411 ' H73' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 C4'-C3'-C2' 105.324 2.124 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 106.232 -1.96 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.771 0 O4'-C1'-C2' 107.646 1.406 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 0 O4'-C1'-C2' 108.054 1.776 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.638 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.295 0 O4'-C1'-N19 106.536 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.638 ' N6 ' ' N6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 C4'-C3'-C2' 104.768 1.568 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.511 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.43 0 O4'-C1'-C2' 108.144 1.858 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.568 1.968 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 108.118 2.518 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.408 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 106.423 -1.721 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DC' . . . . . 0.484 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.01 0 C4'-C3'-C2' 101.777 -1.423 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.484 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 O4'-C1'-C2' 107.765 1.514 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.171 0 O3'-P-O5' 101.095 -1.529 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . 0.562 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O3'-P-O5' 101.493 -1.319 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' ' DA' . . . . . 0.562 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C4'-C3' 108.427 2.827 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' ' DA' . . . . . 0.51 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.079 0 C1'-O4'-C4' 107.135 -1.832 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.722 HD12 HD23 ' A' ' 21' ' ' LEU . 18.5 mt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.084 0.468 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' OE2' ' A' ' 20' ' ' GLU . 30.9 p -76.35 -155.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.02 -28.15 69.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.349 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.08 48.03 0.15 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.339 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.6 tt0 -60.41 -17.97 47.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -116.18 -23.16 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.728 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.01 -59.24 5.08 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.631 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.798 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -76.67 23.59 0.16 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.096 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -119.04 -48.17 2.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.768 HD11 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -52.17 -54.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.535 -178.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.37 -26.73 30.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.654 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 41.4 tt0 -70.73 -37.57 73.48 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.588 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -88.97 -36.71 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.414 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.6 t -66.26 -41.51 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -74.96 -5.02 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.658 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.52 -0.02 17.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -104.07 -111.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -105.26 100.85 10.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -37.37 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -75.69 -6.9 52.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -137.99 82.93 24.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.18 153.42 56.83 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.694 2.263 . . . . 0.0 112.651 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 21.2 m-85 -87.25 178.38 6.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.2 p -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.929 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.0 p-10 -22.48 -47.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.64 0.587 . . . . 0.0 111.147 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 35.1 tp60 -65.31 -49.77 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.768 0.318 . . . . 0.0 111.598 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.638 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.4 mp0 -63.66 -48.55 76.75 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.419 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.449 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.01 -40.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.19 77.59 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.014 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -66.19 -50.6 63.32 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.665 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.9 mt -65.84 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.99 -30.19 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -76.7 -12.86 60.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -86.89 -19.11 29.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.996 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.601 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.5 mmtt -89.8 -68.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.42 28.61 0.02 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.276 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 54' ' ' VAL . 59.6 m-85 -108.24 -13.3 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 19.91 46.29 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.984 0.802 . . . . 0.0 110.96 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -93.0 139.94 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.695 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 152.93 38.45 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.93 -22.38 64.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -65.88 -39.84 91.05 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.079 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -82.02 -42.2 19.64 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.415 0.626 . . . . 0.0 110.464 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -61.54 -33.9 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.4 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.35 71.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.134 0.492 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.07 -37.24 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.641 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -67.02 -59.37 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.406 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' NH1' ' O ' ' A' ' 69' ' ' PRO . 10.5 ptt85 -43.24 -28.47 0.31 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.435 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -84.68 -30.61 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.1 ptm -73.95 -41.77 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -61.2 -54.79 39.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.144 0.497 . . . . 0.0 110.908 -179.004 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.576 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 151.88 34.35 0.03 OUTLIER Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.344 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 71' ' ' SER . 3.1 mp -129.6 130.23 23.23 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.596 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 56.9 Cg_endo -72.11 -44.68 0.81 Allowed 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.443 2.095 . . . . 0.0 112.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.573 ' C ' ' H ' ' A' ' 72' ' ' ARG . 16.6 p -171.98 13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.365 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.9 m 61.27 -7.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 70' ' ' SER . 73.4 ttt180 -86.32 -35.61 19.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.132 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.97 -39.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.877 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt180 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.733 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD12 HD23 ' A' ' 21' ' ' LEU . 13.5 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 20' ' ' GLU . 79.2 p -68.57 -159.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.748 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -59.92 -30.87 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.486 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.57 48.54 0.2 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -61.87 -21.03 64.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.758 -0.26 . . . . 0.0 110.76 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -116.33 -20.77 9.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.17 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.717 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.8 ttp -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.912 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.666 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.1 pttp -75.77 16.75 0.36 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.194 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.9 mm? -111.4 -45.22 3.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.909 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.821 HD11 ' CD1' ' A' ' 66' ' ' LEU . 1.8 pt -52.29 -51.59 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.658 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -81.71 -29.12 33.1 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.621 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 81.4 tt0 -72.21 -36.81 69.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.85 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -85.72 -38.5 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.011 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.2 t -65.35 -42.35 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.23 -5.36 41.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.265 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.94 -12.65 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -96.12 -106.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -114.47 100.22 8.14 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.145 0.498 . . . . 0.0 110.089 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.5 -38.35 89.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.803 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.03 7.88 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -157.43 77.86 3.74 Favored Pre-proline 0 CA--C 1.519 -0.247 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.88 151.41 85.33 Favored 'Trans proline' 0 C--N 1.3 -2.016 0 C-N-CA 122.967 2.445 . . . . 0.0 112.468 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 16.1 m-85 -80.53 -176.6 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.998 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' N ' ' A' ' 42' ' ' GLU . 4.4 p -128.45 135.71 49.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' SER . 31.4 p-10 -25.72 -49.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.539 0.524 . . . . 0.0 111.369 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 32.8 tp60 -62.31 -46.8 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.431 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.9 mt-10 -67.03 -49.26 65.79 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.974 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.51 -41.27 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 109.642 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.63 80.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.79 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.89 -49.18 68.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.235 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -66.41 -39.94 85.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.208 0.528 . . . . 0.0 109.909 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.73 -31.93 71.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -75.72 -12.06 60.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.589 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.99 -19.09 27.68 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.798 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -87.77 -68.84 0.73 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.44 0.638 . . . . 0.0 110.259 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.27 29.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.16 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 71.5 m-85 -105.81 -16.61 14.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER 29.3 40.23 0.0 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.652 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.1 p -88.36 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.874 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.528 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.16 163.38 12.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -62.77 -25.1 68.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.746 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.418 HH21 ' HB1' ' A' ' 55' ' ' ALA . 9.4 mtm180 -66.4 -40.38 89.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.615 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -81.49 -42.99 19.44 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.605 0.717 . . . . 0.0 110.309 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -34.4 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.72 -177.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . . . -71.78 -33.73 68.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.555 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -83.87 -15.46 48.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.197 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD1' HD11 ' A' ' 21' ' ' LEU . 2.5 m-85 -87.51 -45.07 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.585 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.51 HH21 ' HB3' ' A' ' 40' ' ' ASP . 18.5 ptt85 -62.12 -24.16 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.339 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -83.5 -27.1 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.91 -31.19 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.712 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.7 -70.56 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 179.025 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.2 33.01 0.03 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.476 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.468 HG12 HH11 ' A' ' 74' ' ' ARG . 2.4 mt -137.46 125.29 14.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.663 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.19 -34.76 15.72 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.067 1.845 . . . . 0.0 111.781 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 71' ' ' SER . 26.4 p -173.03 -2.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.666 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' SER . 0.8 OUTLIER 77.8 -29.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.558 0.218 . . . . 0.0 110.689 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.5 ttt-85 -69.07 -38.34 79.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.294 0.569 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.04 -38.74 91.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.973 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.468 HH11 HG12 ' A' ' 68' ' ' ILE . 83.6 mtp180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.472 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.756 HD12 HD23 ' A' ' 21' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.042 0.448 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.689 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.8 p -73.07 -160.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.609 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.5 -32.22 57.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.318 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.34 52.14 0.17 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.476 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.689 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.2 tt0 -62.54 -19.21 63.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.581 0.229 . . . . 0.0 110.964 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD12 ' A' ' 16' ' ' LEU . 1.8 pp -113.27 -21.22 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.6 ttp -65.03 -63.73 1.04 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.68 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.708 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.56 18.01 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.237 -178.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.02 -46.13 3.13 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.823 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.876 HD11 HD13 ' A' ' 66' ' ' LEU . 2.1 pt -49.7 -51.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.329 -0.549 . . . . 0.0 111.707 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' H ' HG13 ' A' ' 25' ' ' ILE . 1.6 pttp -82.84 -30.05 28.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 111.788 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 82.4 tt0 -70.42 -36.55 74.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.458 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.1 -38.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.6 t -66.5 -33.04 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.623 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -85.66 -5.98 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.637 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.95 -11.48 18.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -94.88 -107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -115.86 100.68 8.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.468 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.85 -38.45 88.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.318 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -68.0 -19.13 64.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -133.26 83.99 48.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.36 162.07 41.16 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.975 2.45 . . . . 0.0 112.655 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 19.8 m-85 -89.95 -160.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.713 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 p -145.34 131.89 19.83 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.6 p-10 -22.29 -47.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.905 0.384 . . . . 0.0 111.37 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.573 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 36.7 tp60 -64.65 -50.55 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.395 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 39' ' ' SER . 71.1 mm-40 -63.18 -43.87 97.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.5 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.44 -41.18 89.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.7 79.02 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.695 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.75 -51.78 45.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.231 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.607 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.6 mt -64.22 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.023 0.439 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -62.23 -30.99 71.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.796 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -76.12 -11.89 60.01 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.356 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -87.74 -18.7 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.996 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.2 mmtt -90.13 -69.34 0.73 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.332 0.586 . . . . 0.0 110.098 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.74 26.39 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.628 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 54' ' ' VAL . 72.0 m-85 -104.53 -13.3 16.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.107 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' PHE . 4.0 ptmt 28.12 37.75 0.0 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.56 155.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.78 162.94 13.35 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.743 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.546 ' NE ' ' OD1' ' A' ' 40' ' ' ASP . 3.3 ttt180 -61.13 -23.89 65.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.193 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.409 HH21 ' HB1' ' A' ' 55' ' ' ALA . 21.0 mtm-85 -63.95 -39.72 94.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.561 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -85.87 -43.06 13.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.293 0.568 . . . . 0.0 111.014 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -33.5 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.539 -178.091 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -34.22 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.43 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -81.09 -20.52 41.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.142 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -85.17 -39.59 17.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.459 HH11 ' HA ' ' A' ' 70' ' ' SER . 8.4 ptp180 -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -94.53 -21.07 19.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 ptm -82.56 -35.22 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.975 0.417 . . . . 0.0 110.389 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.79 -74.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.76 36.08 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.465 ' CG1' HH11 ' A' ' 74' ' ' ARG . 3.9 mp -125.4 106.7 27.31 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.974 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.54 -47.4 27.31 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.475 2.117 . . . . 0.0 111.738 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 72' ' ' ARG . 55.2 p -170.11 15.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.73 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 t 60.37 -9.29 0.06 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.225 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 70' ' ' SER . 72.1 ttt180 -87.87 -37.08 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.061 0.457 . . . . 0.0 110.255 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.08 -36.94 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.163 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.465 HH11 ' CG1' ' A' ' 68' ' ' ILE . 84.0 mtp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.528 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 21' ' ' LEU . 14.8 mt . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.913 0.387 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' OE1' ' A' ' 20' ' ' GLU . 59.1 p -70.81 -159.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -60.21 -30.49 69.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.51 49.08 0.21 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.618 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.7 tt0 -62.48 -15.92 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.292 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -120.46 -21.63 6.75 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.06 0.457 . . . . 0.0 111.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.92 -52.81 58.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.949 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.672 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -80.65 15.69 1.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.914 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.6 mm? -109.19 -48.87 3.2 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.84 ' O ' HG22 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -50.06 -54.85 6.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.559 0.695 . . . . 0.0 111.648 -178.128 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -31.47 63.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.266 0.555 . . . . 0.0 111.207 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 79.4 tt0 -75.68 -41.81 52.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.271 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -69.4 -41.04 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 25' ' ' ILE . 27.5 m -70.65 -38.62 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.077 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.36 2.39 4.93 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.06 -15.4 11.15 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.525 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.46 -110.94 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.87 0.367 . . . . 0.0 111.268 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -111.92 101.8 10.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.17 -39.05 91.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.316 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -32.14 72.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -128.99 81.63 70.46 Favored Pre-proline 0 C--N 1.312 -1.023 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.414 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.06 163.87 37.06 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.394 2.063 . . . . 0.0 112.609 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 29' ' ' VAL . 35.8 m-85 -86.92 172.86 9.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.1 p -119.16 137.98 53.24 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.642 ' CA ' HH21 ' A' ' 63' ' ' ARG . 18.7 p-10 -20.4 -48.74 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 124.042 0.839 . . . . 0.0 111.0 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 39' ' ' SER . 2.9 tm0? -60.07 -67.69 0.36 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.134 0.493 . . . . 0.0 110.143 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 96.5 mt-10 -46.72 -49.65 19.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.668 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.49 -39.11 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.4 75.79 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -70.8 -50.74 32.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.717 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.6 HG22 ' CE ' ' A' ' 50' ' ' LYS . 3.8 mt -65.55 -37.93 81.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.85 -24.24 65.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.761 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -84.77 -8.86 58.66 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.35 -8.65 44.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.103 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.6 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.4 mttt -105.48 -63.06 1.28 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.395 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.68 46.36 0.03 OUTLIER Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.502 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -127.74 -14.86 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.578 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.3 OUTLIER 21.73 44.77 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 O-C-N 124.031 0.832 . . . . 0.0 111.357 179.361 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.3 p -94.47 138.74 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.728 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.85 157.94 28.24 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.81 -22.77 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.28 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 65.4 mtt85 -62.95 -40.18 96.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.059 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -85.91 -40.65 15.68 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.113 0.482 . . . . 0.0 110.558 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -60.5 -30.75 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.084 -178.472 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.29 44.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.91 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 60.7 mmtt -89.57 -17.9 27.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.292 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-30 -90.44 -33.96 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.342 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.642 HH21 ' CA ' ' A' ' 40' ' ' ASP . 8.8 ptp180 -57.85 -29.42 64.96 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.407 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 82.8 tt0 -93.78 -20.79 19.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.408 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.409 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 5.6 ptm -75.18 -37.98 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.966 0.413 . . . . 0.0 110.349 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -70.44 -72.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.748 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.62 36.45 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.275 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -133.31 132.47 22.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.75 -56.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.033 1.822 . . . . 0.0 111.617 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 72' ' ' ARG . 82.0 p -147.33 3.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.245 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 68' ' ' ILE . 0.7 OUTLIER 70.25 -14.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.1 ttt-85 -88.27 -32.38 18.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.53 -39.29 81.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.655 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.472 HH11 HG12 ' A' ' 68' ' ' ILE . 83.3 mtp180 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.229 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 21' ' ' LEU . 15.8 mt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.779 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.0 p -69.67 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.39 -30.91 65.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.9 51.85 0.15 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.779 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -62.41 -22.95 66.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.763 0.316 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -108.65 -21.91 12.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.94 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.3 ttp -65.84 -61.19 2.2 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.951 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.743 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -76.82 20.98 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.079 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.2 mm? -118.68 -39.79 2.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.8 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.872 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.3 pt -57.77 -46.63 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.184 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -83.34 -25.43 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 111.765 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -70.36 -39.12 74.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.396 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.81 -38.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.279 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.9 t -63.35 -41.77 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.54 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -77.26 2.61 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.771 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.06 -5.78 10.49 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.422 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -95.66 -109.64 0.14 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.26 102.85 11.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.224 0.535 . . . . 0.0 110.504 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.34 -38.17 88.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.564 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -77.02 -7.51 55.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -137.52 82.87 26.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.401 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.87 152.01 51.72 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.614 2.209 . . . . 0.0 112.226 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.6 m-85 -81.04 -163.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.919 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' GLU . 23.6 p -147.04 136.48 22.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' HA ' HD11 ' A' ' 43' ' ' ILE . 35.8 p-10 -25.37 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 O-C-N 123.385 0.428 . . . . 0.0 111.441 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 29.4 tp60 -64.4 -48.82 73.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.31 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' SER . 72.0 mm-40 -61.65 -56.1 23.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.401 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 40' ' ' ASP . 30.1 pt -56.1 -35.51 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.07 84.91 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.637 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.0 t-20 -67.7 -50.0 59.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.871 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.8 mt -64.29 -39.42 85.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.118 0.485 . . . . 0.0 110.355 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.6 mp -61.07 -24.06 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.839 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -84.19 -9.87 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.221 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -91.25 -10.81 40.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.1 mttt -102.56 -66.21 0.94 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.751 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.79 39.88 0.03 OUTLIER Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.526 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' VAL . 69.9 m-85 -120.82 -14.66 8.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.508 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 23.97 41.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.931 0.77 . . . . 0.0 110.921 179.006 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.4 p -91.01 140.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.676 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.63 159.05 21.66 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.42 -24.07 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -66.77 -38.35 86.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m -82.22 -42.18 19.29 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.28 0.562 . . . . 0.0 110.513 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.39 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.205 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.3 84.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.575 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.45 -14.41 62.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.8 m-30 -93.25 -43.51 8.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.235 0.541 . . . . 0.0 110.85 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.514 HH12 HG21 ' A' ' 29' ' ' VAL . 13.6 mmm180 -59.87 -7.87 1.91 Allowed 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.228 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.51 9.71 12.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -119.09 -34.68 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.872 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -62.95 -78.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.776 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.23 -51.52 0.02 OUTLIER Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.291 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 71' ' ' SER . 3.4 mt -61.42 134.48 93.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.557 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.96 -56.95 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.181 1.92 . . . . 0.0 111.996 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 72' ' ' ARG . 35.0 p -152.74 11.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.026 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 68' ' ' ILE . 18.8 t 63.12 -7.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.541 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.4 ttt85 -88.22 -34.87 17.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.08 -41.63 81.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.426 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -70.08 -155.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -59.99 -29.54 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.06 50.12 0.13 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.0 tt0 -60.52 -18.97 55.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.644 0.259 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -112.64 -22.88 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.731 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.8 ttp -64.26 -57.95 7.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.72 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttt -77.8 18.45 0.47 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -115.06 -43.94 3.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.074 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.887 HD11 HD13 ' A' ' 66' ' ' LEU . 2.6 pt -52.33 -50.11 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.603 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -82.55 -27.37 31.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.994 0.426 . . . . 0.0 111.763 -179.002 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.2 -38.76 75.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.91 -38.01 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.32 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.6 t -64.21 -42.44 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 81.1 mm-40 -74.5 -7.52 53.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.169 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.76 -12.16 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.96 -108.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.129 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -115.31 99.14 7.18 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.304 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.58 -37.19 85.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.127 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.3 4.07 2.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.404 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -155.78 77.48 4.62 Favored Pre-proline 0 CA--C 1.519 -0.223 0 CA-C-O 121.134 0.492 . . . . 0.0 109.833 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.38 153.46 70.45 Favored 'Trans proline' 0 C--N 1.296 -2.216 0 C-N-CA 123.205 2.603 . . . . 0.0 113.127 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 33.8 m-85 -86.15 169.32 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.283 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.592 ' O ' ' N ' ' A' ' 42' ' ' GLU . 80.3 p -118.19 137.52 52.94 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 40.5 p-10 -25.3 -47.61 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 O-C-N 123.613 0.571 . . . . 0.0 111.099 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 24.7 tp60 -63.75 -49.68 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.643 0.258 . . . . 0.0 111.57 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 39' ' ' SER . 98.4 mt-10 -64.34 -50.9 65.95 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.541 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.67 -39.85 72.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.764 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.69 81.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.968 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -67.84 -50.41 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.396 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 5.0 mt -64.47 -41.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.27 0.557 . . . . 0.0 110.15 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -59.15 -21.49 59.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -83.14 -12.5 56.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.407 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -90.63 -14.52 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 34.7 mmtt -94.15 -68.44 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 110.126 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.32 45.67 0.03 OUTLIER Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 54' ' ' VAL . 57.3 m-85 -128.57 -13.8 4.76 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 19.57 46.83 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 O-C-N 123.922 0.764 . . . . 0.0 111.523 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.6 ' N ' ' O ' ' A' ' 52' ' ' PHE . 2.1 p -90.55 152.68 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.983 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -93.41 161.01 14.55 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.886 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 25.4 ttm180 -63.08 -24.96 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.457 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.738 ' N ' ' HE ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -66.04 -37.65 86.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.071 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -84.43 -42.11 15.97 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.324 0.583 . . . . 0.0 110.308 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -33.01 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.528 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.1 57.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.32 -13.6 27.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.73 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -90.69 -44.96 9.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' ILE . 0.8 OUTLIER -61.41 -25.23 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.577 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -87.73 -20.86 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ptm -89.67 -30.46 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.887 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -68.1 -72.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.611 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.76 37.59 0.04 OUTLIER Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -144.81 128.45 8.69 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.06 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.51 -51.3 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.013 1.809 . . . . 0.0 111.566 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' ' 72' ' ' ARG . 45.9 p -156.96 6.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.004 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.472 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.9 OUTLIER 69.91 -26.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.742 -179.71 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' A' ' 70' ' ' SER . 53.0 ttt85 -69.35 -38.33 78.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.233 0.54 . . . . 0.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.928 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.459 HH11 HG12 ' A' ' 68' ' ' ILE . 84.5 mtp180 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 21' ' ' LEU . 31.8 mt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.03 0.443 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -76.41 -154.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.454 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.39 -27.33 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.97 49.98 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.346 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.6 tt0 -56.67 -19.7 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -110.24 -23.38 11.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.653 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -66.61 -48.95 67.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.57 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.787 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.0 pttm -90.37 20.67 4.32 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -123.24 -33.3 3.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.681 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -57.15 -47.77 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.603 -178.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -84.1 -23.11 30.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.255 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.47 -37.82 71.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.549 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp -89.65 -38.91 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.155 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 25' ' ' ILE . 70.6 t -63.85 -41.82 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.403 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CD ' ' HE ' ' A' ' 74' ' ' ARG . 79.9 mm-40 -79.21 -4.38 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.861 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 51.0 t-20 -107.59 -10.42 15.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -92.3 -104.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -113.58 101.78 9.66 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.0 -37.93 86.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.489 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -73.86 -5.31 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.346 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -139.19 83.44 17.81 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.668 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.48 151.54 59.27 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.659 2.24 . . . . 0.0 112.295 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HD1' HG13 ' A' ' 29' ' ' VAL . 76.2 m-85 -91.16 167.2 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 41' ' ' GLN . 95.2 p -120.13 139.91 51.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.1 p-10 -23.05 -47.0 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 124.096 0.872 . . . . 0.0 110.925 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.557 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.4 tm0? -62.46 -66.65 0.51 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.222 0.534 . . . . 0.0 110.394 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 98.8 mt-10 -45.54 -54.64 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.372 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -55.89 -38.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.145 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.21 73.59 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.297 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.87 -50.49 28.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.553 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -64.74 -38.49 82.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -61.7 -33.2 73.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.794 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -74.63 -10.22 59.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.316 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -90.09 -18.42 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -90.59 -70.04 0.7 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.31 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 28.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.293 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' N ' ' A' ' 54' ' ' VAL . 67.8 m-85 -106.42 -19.07 13.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.21 38.4 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.692 0.758 . . . . 0.0 110.319 178.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.0 p -89.22 145.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.962 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.76 161.17 20.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -63.54 -24.62 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.769 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.88 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 54' ' ' VAL . 1.5 m -80.82 -44.61 18.21 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.534 0.683 . . . . 0.0 110.303 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -30.04 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.761 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.64 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.453 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.44 -37.74 80.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.6 m-30 -66.87 -52.37 44.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.797 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.663 HH21 ' CA ' ' A' ' 70' ' ' SER . 10.6 ptm85 -55.9 -5.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.537 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' OE1' ' O ' ' A' ' 69' ' ' PRO . 37.0 mm-40 -115.23 -1.71 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.099 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.678 ' HG2' HD12 ' A' ' 66' ' ' LEU . 10.4 ptm -102.97 -36.2 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 65' ' ' MET . 5.4 mp -57.48 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.62 30.89 0.03 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.063 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -124.68 125.51 25.5 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.422 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' O ' ' OE1' ' A' ' 64' ' ' GLU . 76.9 Cg_exo -49.37 -44.63 33.63 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.243 1.962 . . . . 0.0 111.421 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.671 ' C ' ' H ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 163.42 32.56 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 111.912 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.447 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 9.4 t 57.7 -14.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.443 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 70' ' ' SER . 70.4 ttp85 -70.72 -42.92 69.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.381 0.61 . . . . 0.0 109.637 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -76.64 -36.29 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.093 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HE ' ' CD ' ' A' ' 30' ' ' GLU . 77.3 mtp85 . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.776 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 21' ' ' LEU . 16.6 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.8 p -65.04 -161.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.579 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -57.72 -30.67 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.58 53.68 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.819 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -63.34 -31.14 72.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -101.3 -21.42 14.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.701 ' HG3' HD11 ' A' ' 66' ' ' LEU . 4.2 ttp -65.71 -50.47 64.75 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -91.37 18.77 6.73 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.837 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 20' ' ' GLU . 4.2 mm? -119.16 -33.84 4.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -54.13 -48.11 65.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.64 -178.42 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.671 ' H ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -81.23 -22.59 38.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.855 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 38.9 tt0 -68.82 -40.54 79.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.599 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -90.5 -38.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.8 t -63.73 -38.21 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.316 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB3' ' HZ1' ' A' ' 34' ' ' LYS . 80.7 mm-40 -81.72 -5.71 58.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.75 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.81 -14.0 16.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.378 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.53 -105.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -118.22 100.16 7.33 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HZ1' ' HB3' ' A' ' 30' ' ' GLU . 67.2 mttm -61.77 -38.65 88.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.542 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.82 -32.07 72.35 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.462 0.648 . . . . 0.0 110.979 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -122.36 81.2 45.83 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.077 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.31 158.43 54.48 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.686 2.257 . . . . 0.0 112.782 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -90.03 169.75 10.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.589 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' GLN . 10.4 p -117.23 137.79 52.14 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.924 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 p-10 -18.77 -48.36 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.063 0.852 . . . . 0.0 111.265 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 tm0? -63.16 -67.23 0.44 Allowed 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.185 0.517 . . . . 0.0 110.198 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 99.2 mt-10 -44.82 -48.69 11.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.281 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.33 -38.8 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.448 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.6 76.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.417 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -70.89 -50.7 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.863 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.0 mt -64.23 -37.71 80.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.34 -25.16 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -82.93 -8.96 59.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.468 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -92.31 -13.09 30.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.113 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.0 mttt -98.56 -61.26 1.4 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.613 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.54 32.64 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.794 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 53' ' ' LYS . 66.3 m-85 -112.09 -21.02 11.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.377 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.39 42.21 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.751 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.0 p -88.81 153.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.761 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -91.57 156.25 17.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.2 tmm_? -61.68 -24.93 67.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -36.39 81.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -83.03 -43.25 16.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.308 0.575 . . . . 0.0 110.491 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -64.72 -32.58 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.871 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.56 -39.35 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.267 0.556 . . . . 0.0 110.857 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.89 -37.33 70.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.003 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.49 -50.47 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.353 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -48.67 -19.26 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.332 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 1.5 tm-20 -101.98 -22.14 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.66 ' HG2' HD12 ' A' ' 66' ' ' LEU . 8.9 ptm -75.29 -39.3 59.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -62.32 -65.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.971 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 33.95 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG23 ' CD ' ' A' ' 74' ' ' ARG . 1.7 mp -121.78 119.62 28.96 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.234 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.594 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 69.4 Cg_exo -48.52 -63.9 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.673 2.249 . . . . 0.0 111.972 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 71' ' ' SER . 77.9 p -154.05 2.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.719 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 70' ' ' SER . 2.7 p 83.36 -23.71 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.443 ' CG ' ' OG ' ' A' ' 70' ' ' SER . 15.5 ptt180 -87.58 -28.82 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.944 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.33 -36.4 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.286 0.565 . . . . 0.0 110.641 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' CD ' HG23 ' A' ' 68' ' ' ILE . 78.5 mtp85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.729 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 21' ' ' LEU . 16.9 mt . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.728 HG23 ' OE2' ' A' ' 20' ' ' GLU . 66.9 p -74.88 -155.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -61.64 -26.91 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.97 49.88 0.12 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.728 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.0 tt0 -62.15 -17.23 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -115.92 -22.47 9.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 66' ' ' LEU . 1.7 ttp -63.85 -60.55 3.14 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.682 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.7 pttt -74.14 16.28 0.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -110.43 -50.27 2.98 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.999 HD11 HD13 ' A' ' 66' ' ' LEU . 1.4 pt -41.1 -54.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.726 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 4.4 ptpt -78.26 -33.47 49.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.243 0.545 . . . . 0.0 111.637 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -70.18 -39.41 75.26 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.85 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -82.06 -35.27 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 123.295 0.372 . . . . 0.0 110.539 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 25' ' ' ILE . 56.4 t -71.26 -30.97 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-O 120.723 0.296 . . . . 0.0 110.404 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.89 -4.94 58.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -103.12 -17.09 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -88.97 -106.44 0.08 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -118.72 98.41 6.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -61.27 -37.43 83.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -66.85 -3.83 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.718 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -157.64 80.53 3.24 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.113 0.482 . . . . 0.0 109.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.19 -172.72 0.14 Allowed 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.032 2.488 . . . . 0.0 112.6 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.9 m-85 -115.66 -170.56 1.8 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.409 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -133.34 135.23 44.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 2.8 p30 -21.33 -48.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 123.637 0.586 . . . . 0.0 111.258 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.9 tp60 -62.96 -53.26 56.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.404 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.7 mm-40 -61.33 -44.22 97.57 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.434 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.11 -40.82 84.5 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.718 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.0 -33.33 75.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.161 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -69.15 -52.78 24.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.568 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -63.39 -39.26 84.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.5 -29.69 70.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -77.23 -10.59 59.51 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.819 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.92 -18.48 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.668 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.6 mmtt -90.78 -69.47 0.73 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.165 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.15 31.0 0.03 OUTLIER Glycine 0 N--CA 1.465 0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.307 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 54' ' ' VAL . 62.9 m-85 -109.49 -17.09 13.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.651 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 29.28 36.1 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.849 0.833 . . . . 0.0 110.621 179.085 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.4 p -86.54 149.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.556 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.49 163.23 13.13 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 111.117 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.587 ' NH2' ' OD1' ' A' ' 40' ' ' ASP . 37.6 ttt-85 -62.83 -24.51 67.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.461 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -63.98 -38.95 92.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.062 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -84.98 -44.61 12.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 121.105 0.478 . . . . 0.0 110.778 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -28.44 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.046 -178.348 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.59 49.44 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.981 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -89.04 -21.13 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.4 m-30 -76.79 -34.74 57.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 68' ' ' ILE . 12.5 ptp180 -67.59 -8.51 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.64 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -96.88 -23.01 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -89.37 -23.74 22.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.999 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -82.23 -72.99 0.41 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 162.17 43.87 0.02 OUTLIER Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.5 mp -136.54 122.5 13.53 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.93 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.36 -55.83 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.343 2.028 . . . . 0.0 112.114 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 72' ' ' ARG . 41.6 p -154.77 8.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.091 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.26 -23.11 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' A' ' 70' ' ' SER . 76.8 ttt180 -70.81 -38.89 73.31 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.208 0.528 . . . . 0.0 110.112 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.74 -35.66 81.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.79 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 92.4 mtt-85 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 HD23 ' A' ' 21' ' ' LEU . 25.7 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.041 0.448 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.558 HG23 ' OE2' ' A' ' 20' ' ' GLU . 58.4 p -71.03 -155.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.579 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.43 -27.51 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.419 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.36 50.32 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.553 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.3 tt0 -60.05 -21.07 60.95 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.74 0.305 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 16' ' ' LEU . 1.3 pp -108.46 -21.36 12.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.689 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttp -67.29 -57.27 6.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.736 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.3 pttp -79.21 17.57 0.78 Allowed 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -117.56 -40.86 3.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -53.56 -50.21 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.192 -178.385 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.35 -26.99 30.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.906 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -70.65 -38.86 73.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -86.32 -38.54 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.6 t -64.86 -34.83 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -83.64 -6.93 59.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.98 -10.31 18.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -92.81 -107.72 0.11 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -115.52 101.03 8.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.473 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.747 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.64 -22.8 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.454 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.18 81.38 70.58 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.338 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.47 155.74 62.94 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.85 2.367 . . . . 0.0 112.917 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.8 m-85 -86.76 -160.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.658 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 10.9 p -151.98 139.04 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.033 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.598 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.6 p30 -21.87 -54.57 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 O-C-N 123.943 0.777 . . . . 0.0 111.26 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.2 tm0? -60.55 -67.3 0.41 Allowed 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 121.115 0.484 . . . . 0.0 109.9 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 95.0 mt-10 -39.94 -60.94 0.93 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.378 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 40' ' ' ASP . 34.6 pt -53.9 -35.79 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -64.86 -35.13 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -70.94 -49.8 41.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.994 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.605 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.2 mt -64.17 -39.49 85.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.228 0.537 . . . . 0.0 110.262 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -60.55 -27.58 67.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.861 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -77.79 -13.48 59.88 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.04 -18.73 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -88.82 -69.65 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.347 0.594 . . . . 0.0 110.082 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 25.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' LYS . 63.9 m-85 -103.17 -23.72 13.62 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.014 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 30.98 43.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.701 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.76 144.44 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.15 158.43 26.33 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -64.4 -21.38 66.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -66.99 -40.11 87.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.263 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -81.82 -42.69 19.31 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-O 121.271 0.558 . . . . 0.0 110.361 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.54 -33.95 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.684 -178.113 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.78 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.41 -37.77 77.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.422 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -66.39 -63.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.5 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.626 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -46.22 -26.66 0.83 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.073 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 84.1 tt0 -87.15 -21.04 26.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -87.97 -36.71 16.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.689 HD21 ' HG3' ' A' ' 22' ' ' MET . 2.0 mp -63.29 -74.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.581 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 167.41 41.79 0.02 OUTLIER Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.315 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.17 108.05 11.41 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.464 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 51.6 Cg_exo -51.9 -49.47 17.2 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.563 2.175 . . . . 0.0 111.887 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 72' ' ' ARG . 23.8 p -169.04 15.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.385 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t 57.79 -4.84 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.607 ' H ' ' C ' ' A' ' 70' ' ' SER . 74.7 ttt180 -88.16 -35.69 17.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 110.413 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.52 -39.61 81.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.789 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 96.1 mtt180 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.667 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD12 HD23 ' A' ' 21' ' ' LEU . 22.4 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.971 0.415 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.3 p -71.15 -155.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.675 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.52 -27.53 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.21 48.82 0.13 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 tt0 -58.61 -23.54 59.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -106.47 -23.69 12.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.3 ttp -64.69 -52.58 56.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.74 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.9 pttt -85.05 19.81 2.06 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.022 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -119.68 -36.4 3.33 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.85 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.873 HD11 HD13 ' A' ' 66' ' ' LEU . 4.3 pt -59.96 -44.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.779 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -83.37 -20.81 33.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.982 0.42 . . . . 0.0 111.277 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.93 -41.15 78.51 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.423 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.32 -40.1 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 25' ' ' ILE . 89.0 t -62.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 46.5 mm-40 -77.39 3.85 12.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.351 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.56 0.19 3.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.578 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -91.26 -107.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 0.0 111.152 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -121.23 102.02 8.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.286 0.565 . . . . 0.0 110.721 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -59.96 -37.0 78.31 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.961 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -65.43 -33.9 77.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.56 79.83 54.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.324 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.23 167.96 24.71 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.737 2.291 . . . . 0.0 112.784 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -102.76 160.14 14.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 t -119.17 142.71 47.72 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.03 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 34.2 p-10 -21.49 -48.87 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.175 0.922 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.56 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 2.1 tm0? -60.34 -68.01 0.34 Allowed 'General case' 0 N--CA 1.436 -1.154 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 97.2 mt-10 -46.26 -54.85 8.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.498 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.26 -39.26 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.39 72.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.487 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.78 -50.18 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.693 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 50' ' ' LYS . 3.2 mt -66.79 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.106 0.479 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.4 mp -60.46 -30.86 69.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.677 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -79.33 -7.89 58.67 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.95 -11.89 34.91 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.96 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 46' ' ' ILE . 7.2 mttt -100.36 -62.15 1.28 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.496 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.78 31.08 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.372 -0.918 . . . . 0.0 111.688 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -108.74 -23.15 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.147 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.72 42.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.835 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.3 p -89.84 154.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -89.42 156.64 18.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.925 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' HH11 ' A' ' 57' ' ' ARG . 30.6 ttm180 -61.87 -25.49 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.697 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 11.0 mpt_? -66.31 -37.94 86.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.157 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -82.8 -41.7 18.8 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.327 0.584 . . . . 0.0 110.431 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.55 -33.15 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.544 -178.445 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.24 -42.7 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.908 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.82 -37.95 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -65.28 -56.19 14.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.235 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -48.68 -28.24 3.42 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.227 -179.503 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -85.84 -18.72 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.965 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' TYR . 5.9 ptm -91.29 -29.62 17.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.439 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.873 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.75 -76.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.34 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.44 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.486 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mt -51.36 132.7 33.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.774 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.606 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.6 Cg_endo -71.63 -63.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.139 1.893 . . . . 0.0 111.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 72' ' ' ARG . 51.8 p -142.9 5.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m 69.75 -13.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttp180 -85.5 -34.07 21.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.168 0.509 . . . . 0.0 110.333 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.2 mt-10 -65.79 -41.06 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.972 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.594 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 50.8 mtm180 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.661 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 21' ' ' LEU . 28.8 mt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.086 0.469 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 ' OE1' ' A' ' 20' ' ' GLU . 49.8 p -75.46 -152.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.598 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.13 -30.07 67.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.7 47.99 0.11 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.616 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.8 tt0 -56.32 -17.23 7.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.775 0.321 . . . . 0.0 110.507 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -112.47 -25.19 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.012 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.811 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.02 -48.35 76.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.617 -179.345 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.684 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -85.92 14.53 5.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.366 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.18 -37.25 4.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.946 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 66' ' ' LEU . 2.3 pt -56.44 -48.03 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.972 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.0 ptpt -79.74 -31.77 41.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.12 0.486 . . . . 0.0 111.585 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -70.45 -38.89 74.57 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.825 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -83.87 -37.67 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.176 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.8 t -66.46 -34.76 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.457 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.55 -5.02 59.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.856 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.01 -12.18 16.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.198 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -96.3 -108.52 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -113.53 99.29 7.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.93 -37.25 86.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.421 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -1.65 11.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.705 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -150.25 76.31 8.57 Favored Pre-proline 0 CA--C 1.518 -0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 109.84 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.16 154.38 67.96 Favored 'Trans proline' 0 C--N 1.295 -2.258 0 C-N-CA 123.015 2.476 . . . . 0.0 112.729 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.475 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.6 m-85 -87.87 -177.11 5.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.154 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.3 t -131.97 140.67 49.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.682 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 41.0 p-10 -22.22 -48.24 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.104 0 O-C-N 123.894 0.747 . . . . 0.0 111.424 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.1 tp60 -62.42 -52.96 61.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.782 0.325 . . . . 0.0 111.648 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 42' ' ' GLU . 43.9 mp0 -63.35 -49.48 73.71 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.556 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.97 -41.52 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.47 75.86 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.026 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.14 -51.86 41.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.915 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.61 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.5 mt -64.32 -38.91 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.4 mp -61.27 -32.38 72.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.025 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -75.01 -10.89 59.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.496 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.54 -18.04 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.61 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.3 mmtt -91.41 -68.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.188 0.518 . . . . 0.0 110.131 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.34 29.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.47 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' VAL . 71.8 m-85 -106.74 -16.12 14.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.14 36.88 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.555 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 52' ' ' PHE . 12.4 p -88.83 141.53 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.93 163.96 16.09 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.919 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.554 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.5 ttm180 -64.21 -21.42 66.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.607 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.8 mmt-85 -67.61 -40.47 84.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.074 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -81.82 -43.63 18.02 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.397 0.618 . . . . 0.0 110.441 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.449 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -64.57 -32.04 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.034 -178.177 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -73.07 -21.07 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.097 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -97.22 -4.89 38.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -93.86 -55.45 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.591 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -42.83 -32.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.998 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -85.21 -24.43 27.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.1 ptm -75.69 -38.41 58.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.5 OUTLIER -68.07 -72.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.31 32.81 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -132.98 133.19 22.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.575 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 55.6 Cg_endo -72.15 -61.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.189 1.926 . . . . 0.0 111.761 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.7 p -147.95 5.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.496 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER 72.18 -25.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.5 ttt180 -70.5 -38.01 74.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.214 0.531 . . . . 0.0 110.067 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.36 -38.27 90.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.918 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HE ' ' HA ' ' A' ' 71' ' ' SER . 85.7 mtm180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 21' ' ' LEU . 15.2 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.987 0.422 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -65.69 -159.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.16 -30.94 69.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.54 48.26 0.23 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.501 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.588 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.9 tt0 -61.62 -20.2 63.1 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.601 -0.352 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.16 -20.14 10.54 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.003 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.668 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttt -65.17 -63.92 0.99 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.298 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.811 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -74.27 27.17 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -124.05 -48.0 1.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.12 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 66' ' ' LEU . 1.1 pt -41.21 -54.53 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.874 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -81.15 -23.47 38.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.549 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.14 -39.82 71.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.161 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -88.41 -38.09 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.047 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 25' ' ' ILE . 71.8 t -64.16 -42.87 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.586 ' OE1' ' NH1' ' A' ' 74' ' ' ARG . 80.9 mm-40 -73.97 -5.41 41.12 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.56 -13.95 17.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.947 0.404 . . . . 0.0 110.878 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -96.21 -107.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.99 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -107.89 102.07 11.29 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.226 0.536 . . . . 0.0 110.633 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -37.61 87.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.818 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -79.12 -2.87 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.497 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -140.21 83.18 15.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.766 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' SER . 59.7 Cg_endo -71.52 153.8 60.35 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.828 2.352 . . . . 0.0 112.937 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.5 m-85 -86.32 176.07 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.465 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 42' ' ' GLU . 25.1 p -122.66 138.83 54.48 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.544 ' OD2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -25.85 -45.41 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 O-C-N 123.683 0.614 . . . . 0.0 110.623 -178.726 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 tp-100 -62.86 -50.17 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.1 mt-10 -66.73 -48.03 70.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.907 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.667 ' CD1' HH21 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -58.99 -40.4 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.514 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.98 82.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.589 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.84 -50.08 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -66.92 -39.12 82.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.222 0.534 . . . . 0.0 110.226 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.39 -30.73 69.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.74 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -76.48 -12.9 60.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.57 -19.41 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.786 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.4 mmtt -87.49 -69.15 0.71 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.377 0.608 . . . . 0.0 109.969 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.43 29.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 54' ' ' VAL . 68.2 m-85 -106.65 -15.05 14.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.985 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 26.06 39.45 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.481 178.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -86.31 158.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.772 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -101.09 159.9 14.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.138 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -62.21 -26.81 68.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.974 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -82.7 -42.53 17.96 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 121.533 0.682 . . . . 0.0 110.889 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.21 -37.61 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.865 -177.876 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 59' ' ' VAL . . . -66.6 -41.76 87.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.33 0.586 . . . . 0.0 110.566 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.62 -38.31 86.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.708 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-85 -66.87 -55.97 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.301 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.669 HH22 ' CB ' ' A' ' 71' ' ' SER . 2.0 ptp180 -46.26 -28.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.641 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -88.15 -24.51 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.605 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.2 ptm -79.02 -40.92 30.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.373 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 25' ' ' ILE . 3.5 mp -60.75 -74.12 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.61 41.36 0.04 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.661 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.704 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -135.48 114.51 11.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -51.8 -48.59 20.73 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -165.04 18.5 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.339 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.704 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 40.0 t 60.28 -8.85 0.06 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.848 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.6 ttp180 -92.62 -32.11 14.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.373 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.85 -39.92 41.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.209 0.528 . . . . 0.0 111.582 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.586 ' NH1' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.732 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.085 0.469 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.866 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.9 p -76.21 -155.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.472 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -62.92 -28.43 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.0 45.49 0.18 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.331 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.866 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.4 tt0 -57.61 -20.42 32.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.976 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG21 ' A' ' 54' ' ' VAL . 1.8 pp -110.56 -24.14 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.026 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.746 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.6 ttt -64.34 -52.86 56.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.98 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.757 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.4 pttt -85.24 21.12 1.77 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -121.14 -36.86 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.965 HD11 HD13 ' A' ' 66' ' ' LEU . 2.0 pt -50.58 -48.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.847 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' H ' HG13 ' A' ' 25' ' ' ILE . 11.3 pttt -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.446 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -71.26 -38.51 71.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.385 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.7 -38.73 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.3 t -63.41 -43.01 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.26 -4.11 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.03 -17.13 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.36 -106.27 0.08 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -116.52 101.47 8.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -38.25 87.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.13 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -69.65 -18.46 63.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.51 83.79 53.11 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.298 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.43 164.09 35.99 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 123.012 2.475 . . . . 0.0 112.609 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -97.9 164.89 12.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.277 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.6 p -110.99 139.15 46.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 6.0 p30 -21.43 -48.27 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 O-C-N 123.679 0.612 . . . . 0.0 111.193 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.588 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.5 tp60 -64.8 -50.16 67.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -64.45 -43.82 93.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.238 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.34 -40.47 86.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.9 79.28 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.192 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.26 -49.84 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.035 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.4 mt -65.18 -39.51 85.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 0.0 109.958 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.7 mp -60.37 -27.35 67.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.613 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -82.16 -9.47 59.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.636 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.04 -13.17 33.73 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.009 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.627 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.2 mttt -99.2 -59.35 1.74 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 120.965 0.412 . . . . 0.0 110.605 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.82 32.22 0.02 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.84 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' VAL . 81.3 m-85 -109.9 -20.11 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 29.14 40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.676 HG21 HD22 ' A' ' 21' ' ' LEU . 7.6 p -91.73 137.41 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.58 32.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.233 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.16 -21.86 66.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.629 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -68.39 -40.41 81.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.837 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -79.5 -43.1 23.8 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.568 0.699 . . . . 0.0 109.842 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -32.93 60.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.331 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.619 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -72.07 -39.98 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.025 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -16.54 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.235 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-30 -88.34 -52.3 5.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.619 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -49.12 -27.83 3.79 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.475 -179.565 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -87.94 -20.89 25.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.636 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.3 ptm -84.1 -34.43 24.13 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.59 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.965 HD13 HD11 ' A' ' 25' ' ' ILE . 2.2 mp -69.9 -75.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 68' ' ' ILE . . . -179.51 42.22 0.08 OUTLIER Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 67' ' ' GLY . 3.4 mp -141.05 107.16 6.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.72 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.593 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 50.5 Cg_exo -53.0 -54.66 4.7 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.523 2.149 . . . . 0.0 111.917 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -148.74 6.87 0.73 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 111.225 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.74 -9.51 0.34 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.666 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.533 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.7 ttp180 -94.6 -30.23 14.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.908 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 2.9 pp20? -83.22 -35.44 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.763 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.745 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.925 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 HD23 ' A' ' 21' ' ' LEU . 15.3 mt . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.984 0.421 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 20' ' ' GLU . 80.4 p -68.12 -157.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.564 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -59.78 -28.83 67.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.297 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.23 49.84 0.13 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.614 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -60.94 -21.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.777 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -111.95 -22.32 11.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.762 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.6 ttp -64.2 -59.13 4.79 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.025 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.738 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.2 pttt -76.73 19.45 0.28 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.156 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -116.02 -43.23 3.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.0 pt -55.04 -49.26 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.587 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -83.19 -25.11 32.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.024 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -71.29 -38.3 71.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -88.4 -38.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' ILE . 67.3 t -63.97 -42.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.665 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.75 -0.06 22.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.836 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.74 -7.81 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.251 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -93.73 -109.59 0.12 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.352 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -120.28 101.01 7.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.664 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.43 -37.5 81.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.272 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.57 -32.73 71.81 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.476 0.655 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -120.69 78.65 30.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 71' ' ' SER . 62.0 Cg_endo -69.65 154.64 67.92 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.574 2.183 . . . . 0.0 113.024 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -88.66 166.81 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.484 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' C ' ' A' ' 40' ' ' ASP . 19.6 p -120.04 142.53 48.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.664 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.8 p-10 -24.71 -49.61 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 124.02 0.825 . . . . 0.0 111.097 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.6 tm0? -59.59 -67.51 0.37 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.307 0.575 . . . . 0.0 109.947 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 79.6 mm-40 -42.88 -58.89 2.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.431 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -52.52 -38.52 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.8 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.43 74.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.199 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -72.46 -49.11 35.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.867 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -63.71 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.04 -28.09 68.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -78.33 -12.33 60.0 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.72 -18.8 28.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.0 mmtt -89.53 -69.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 109.86 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.72 26.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.623 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 63.9 m-85 -103.59 -19.91 14.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.221 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 28.69 44.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.715 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -89.66 157.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -95.72 161.94 13.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.681 ' NH2' HH12 ' A' ' 57' ' ' ARG . 46.4 ttp180 -65.32 -23.32 66.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.206 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.681 HH12 ' NH2' ' A' ' 56' ' ' ARG . 9.6 mpt_? -67.03 -37.4 84.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -84.62 -42.09 15.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 110.475 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.85 -33.41 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.789 -178.448 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.05 -38.15 72.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.92 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.42 -37.83 65.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.371 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.606 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.9 m-30 -65.14 -48.25 74.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.877 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.623 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -68.55 -2.25 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.259 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -98.79 -24.5 14.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp -98.08 -29.74 13.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.841 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.69 -71.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.601 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 169.39 45.44 0.03 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.518 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -148.08 127.32 6.34 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.579 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 57.5 Cg_endo -72.22 -37.09 4.87 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.066 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 72' ' ' ARG . 47.5 p -175.24 6.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.621 179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 68' ' ' ILE . 16.8 p 65.18 -9.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.677 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.4 ttt180 -89.99 -34.2 16.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.408 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -71.59 -39.65 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt-85 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.423 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.796 HD12 HD23 ' A' ' 21' ' ' LEU . 19.2 mt . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 121.131 0.491 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.8 p -64.77 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.518 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.93 -28.02 67.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.38 48.75 0.14 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.764 ' OE1' HG23 ' A' ' 17' ' ' THR . 3.1 tt0 -60.03 -18.38 45.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.646 0.26 . . . . 0.0 111.145 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.45 -20.23 10.33 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.985 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.733 ' HG3' HD21 ' A' ' 66' ' ' LEU . 3.8 ttp -67.43 -59.92 3.0 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.663 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.822 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttm -77.72 27.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.24 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.822 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -125.92 -47.3 1.66 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.857 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.1 pt -46.23 -51.14 4.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.122 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -82.55 -25.42 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -84.64 -38.3 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.817 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.1 t -64.29 -42.07 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.412 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 80.4 mm-40 -77.73 -5.4 50.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.357 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 54.5 t-20 -103.05 -14.27 16.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.991 0.424 . . . . 0.0 110.809 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -92.39 -103.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -115.71 101.01 8.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.5 mttp -62.52 -38.55 90.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.363 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -72.06 -14.82 61.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.85 83.43 46.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.483 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.03 158.6 45.65 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.877 2.385 . . . . 0.0 112.593 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.1 m-85 -90.91 -170.92 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.375 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 p -133.78 137.08 44.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 56' ' ' ARG . 38.8 p-10 -24.83 -44.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.319 0.387 . . . . 0.0 111.377 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.8 tp60 -66.53 -48.1 70.78 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.4 mm-40 -66.17 -41.77 89.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.324 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.33 -41.11 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.92 82.33 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.035 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.23 -49.95 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.168 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.26 -40.17 87.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.124 0.488 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.26 -29.5 68.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.817 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -77.31 -12.39 59.95 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.69 -19.04 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 32.0 mmtt -87.67 -69.4 0.69 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.436 0.636 . . . . 0.0 110.113 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 28.06 0.02 OUTLIER Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.3 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 71.2 m-85 -104.36 -22.16 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.26 0.01 OUTLIER 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.667 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 21' ' ' LEU . 6.8 p -91.19 139.8 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.749 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.59 157.64 30.2 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.394 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 40' ' ' ASP . 3.2 tmt_? -63.75 -19.95 65.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -82.07 -42.53 19.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.322 0.582 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -64.61 -34.09 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.029 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -69.96 -41.69 74.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.96 -38.25 82.56 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -63.52 -51.36 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.907 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 6.5 ptp180 -48.22 -20.4 0.37 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.799 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 62' ' ' TYR . 80.2 tt0 -93.8 -22.12 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.632 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 66' ' ' LEU . 3.1 ppp? -83.01 -29.37 28.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.012 0.434 . . . . 0.0 110.505 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.857 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -75.55 -73.09 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.45 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.56 41.57 0.02 OUTLIER Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.371 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.7 mp -136.38 124.54 15.01 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.488 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.31 -39.66 3.68 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.088 1.858 . . . . 0.0 111.47 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 72' ' ' ARG . 43.3 p -169.75 10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.578 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.489 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 11.8 p 64.85 -10.75 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.7 ttt180 -85.63 -37.04 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.223 0.535 . . . . 0.0 110.074 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.34 -39.11 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.224 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.755 -179.129 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 21' ' ' LEU . 22.5 mt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.028 0.442 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.5 p -75.04 -159.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.685 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -33.9 61.01 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.33 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.06 51.27 0.17 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.644 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.9 tt0 -60.72 -23.16 64.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.668 0.271 . . . . 0.0 110.984 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -109.4 -20.88 12.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.711 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.9 ttp -66.1 -58.56 5.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.218 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.73 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.0 pttp -79.39 20.82 0.52 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.044 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -118.23 -42.52 2.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.871 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.968 HD11 HD13 ' A' ' 66' ' ' LEU . 4.1 pt -53.66 -48.07 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.315 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.47 -27.45 27.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.885 0.374 . . . . 0.0 111.382 -179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 78.9 tt0 -71.52 -35.45 70.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.128 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -89.16 -39.02 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.3 t -64.62 -42.44 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' OE1' ' NH2' ' A' ' 74' ' ' ARG . 95.9 mt-10 -75.36 -5.73 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.145 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -106.12 -10.98 16.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.273 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -92.75 -109.7 0.11 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.967 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -115.59 100.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.0 -38.49 88.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.393 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -62.25 -33.07 73.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 78.87 29.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.143 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.62 152.42 64.87 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.674 2.25 . . . . 0.0 112.835 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 38.7 m-85 -84.32 -177.06 6.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.591 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.2 p -133.0 140.78 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.351 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' H ' ' NH1' ' A' ' 63' ' ' ARG . 37.5 p-10 -24.08 -48.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.152 0.283 . . . . 0.0 111.492 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.6 tp60 -63.08 -50.47 70.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.766 0.317 . . . . 0.0 111.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mp0 -64.59 -44.14 91.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.878 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.461 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.96 -41.36 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.29 80.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.967 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -66.32 -50.43 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.079 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.4 -40.17 87.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.265 0.555 . . . . 0.0 110.19 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -60.84 -27.93 68.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -79.21 -11.68 59.96 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.46 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.73 -19.25 27.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -89.16 -68.35 0.78 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.321 0.581 . . . . 0.0 110.007 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 31.11 0.02 OUTLIER Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.094 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.615 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -109.47 -12.73 14.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 21.22 43.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.135 0 O-C-N 123.983 0.802 . . . . 0.0 110.925 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.615 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -90.38 157.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -96.72 160.2 14.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.216 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 26.7 ttm180 -61.29 -24.79 66.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -66.46 -41.11 89.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.347 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -80.35 -42.75 22.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.53 0.681 . . . . 0.0 110.338 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -33.76 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.72 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.05 -41.38 74.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.14 -39.32 82.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -65.38 -46.75 78.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.828 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.574 ' NH1' ' H ' ' A' ' 40' ' ' ASP . 15.6 ptm180 -67.75 -19.55 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.221 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.56 -23.5 25.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.651 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ptm -96.8 -31.07 12.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.968 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -61.85 -71.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 110.868 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.25 36.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.467 HG12 HH11 ' A' ' 74' ' ' ARG . 3.8 mp -135.87 127.52 17.31 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.71 -42.93 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.251 1.968 . . . . 0.0 111.76 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.588 ' C ' ' H ' ' A' ' 72' ' ' ARG . 21.1 p -172.13 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.346 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' NH2' ' A' ' 63' ' ' ARG . 2.5 m 61.06 -8.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.8 ttt180 -85.17 -37.55 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.218 0.532 . . . . 0.0 110.105 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.25 -39.68 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.196 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.479 ' NH2' ' OE1' ' A' ' 30' ' ' GLU . 83.1 mtp180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.449 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.77 HD12 HD23 ' A' ' 21' ' ' LEU . 19.7 mt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 121.106 0.479 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.2 p -69.32 -153.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.44 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.41 -27.94 67.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.4 tt0 -54.68 -17.81 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -113.56 -25.55 8.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.37 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.818 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.65 -47.41 81.39 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.779 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -88.62 19.75 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -120.29 -33.63 3.85 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.062 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.792 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.5 pt -62.68 -46.13 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.733 . . . . 0.0 111.096 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -84.19 -23.56 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 111.392 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.76 -39.45 76.71 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.557 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 pp -89.85 -38.14 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.0 t -63.31 -41.49 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.384 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.41 0.47 22.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.78 -0.23 11.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -100.35 -111.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -114.61 103.06 10.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.22 -39.53 90.61 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.262 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -70.33 -14.46 62.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.389 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -133.51 83.28 49.39 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.375 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' SER . 61.3 Cg_endo -71.97 155.29 57.65 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.92 2.413 . . . . 0.0 112.727 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.462 ' CB ' HG23 ' A' ' 43' ' ' ILE . 70.2 m-85 -88.66 161.72 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.319 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.4 p -113.63 140.56 48.1 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.3 p-10 -27.29 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.784 0.678 . . . . 0.0 110.918 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 27.7 tp60 -62.3 -49.55 75.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.1 mm-40 -63.06 -56.35 17.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.631 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -53.26 -38.54 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.163 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.099 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.89 -50.69 54.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.432 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.7 mt -64.67 -39.22 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.4 -31.11 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -77.3 -11.8 59.88 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.507 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -87.25 -19.17 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 46' ' ' ILE . 28.6 mmtt -90.0 -70.15 0.68 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.098 0.475 . . . . 0.0 109.925 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.47 20.85 0.02 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.024 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -96.58 -19.18 19.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.7 ptmt 27.32 43.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 123.842 0.714 . . . . 0.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.566 HG22 ' N ' ' A' ' 55' ' ' ALA . 2.4 p -86.27 162.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.705 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.566 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.94 154.18 17.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.52 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.92 -31.74 70.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -66.27 -35.61 80.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.635 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -77.46 -44.68 28.11 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.579 0.704 . . . . 0.0 110.064 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -30.96 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.642 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 -27.1 60.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -89.54 -13.01 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.5 m-30 -91.65 -43.05 9.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.966 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -52.57 -29.76 27.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.796 -179.749 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 42.6 tt0 -89.35 -24.62 21.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 62' ' ' TYR . 4.8 ptm -78.02 -21.73 50.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.774 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.818 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.6 OUTLIER -87.68 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.964 0.411 . . . . 0.0 110.905 -179.423 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.08 32.3 0.02 OUTLIER Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.13 103.61 10.6 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 52.1 Cg_exo -52.21 -47.95 24.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.698 2.266 . . . . 0.0 111.686 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 72' ' ' ARG . 33.9 p -162.95 12.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.503 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 3.9 t 64.27 -9.44 0.16 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.815 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttt85 -89.82 -34.57 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.57 -39.4 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.315 -179.746 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD12 HD23 ' A' ' 21' ' ' LEU . 16.7 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.45 HG23 ' OE1' ' A' ' 20' ' ' GLU . 65.5 p -75.15 -159.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -34.17 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.256 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.24 53.63 0.16 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.1 tt0 -61.67 -30.03 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -102.6 -20.96 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.0 ttt -65.55 -51.37 60.34 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.95 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.765 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 pttt -89.39 19.88 4.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.649 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -119.89 -34.72 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.289 -179.073 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -85.07 -22.52 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.587 -179.021 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 75.9 tt0 -70.05 -38.93 75.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -90.07 -38.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.9 t -65.0 -41.36 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.623 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 79.8 mm-40 -80.17 -4.99 55.27 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.011 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 58.0 t-20 -103.78 -13.23 16.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 110.679 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -90.87 -102.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -118.96 98.73 6.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 30' ' ' GLU . 67.8 mttm -61.03 -37.66 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.343 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -66.64 -20.01 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.468 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.8 83.71 52.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.71 153.7 59.38 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.894 2.396 . . . . 0.0 112.642 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.3 m-85 -83.11 -168.28 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -136.8 133.71 36.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.2 p-10 -22.18 -45.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.397 0.436 . . . . 0.0 111.054 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.586 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.5 tp60 -65.72 -50.45 64.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.49 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -63.78 -43.68 95.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.051 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.11 72.63 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.38 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.27 -51.55 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.636 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.0 mt -65.21 -39.78 86.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -60.91 -31.53 71.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -75.54 -12.29 60.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.68 -19.01 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.758 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.636 ' HE3' HG22 ' A' ' 46' ' ' ILE . 27.9 mmtt -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.884 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.78 23.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.69 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' VAL . 70.7 m-85 -98.71 -18.05 18.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.355 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 29.62 38.77 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.698 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.551 HG21 HD22 ' A' ' 21' ' ' LEU . 8.7 p -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.203 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.32 18.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -65.64 -24.21 66.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -69.33 -36.33 76.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -80.86 -42.76 21.01 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.26 0.552 . . . . 0.0 110.269 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -65.83 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.094 -178.784 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.547 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.45 -37.85 83.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.522 . . . . 0.0 110.772 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.31 -36.14 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.806 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.61 -54.16 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.477 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -42.88 -27.42 0.18 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -93.72 -22.52 18.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.738 ' HG2' HD12 ' A' ' 66' ' ' LEU . 7.8 ptm -76.01 -37.78 58.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.487 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.738 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mp -62.61 -71.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.35 -26.02 0.06 OUTLIER Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.453 -0.879 . . . . 0.0 111.225 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -69.16 115.98 37.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.029 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.564 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 65.8 Cg_exo -50.87 -52.54 8.86 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.472 2.115 . . . . 0.0 111.991 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.605 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.6 p -173.65 10.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.593 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m 65.4 -16.05 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 70' ' ' SER . 45.9 ttm-85 -71.37 -43.41 66.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.764 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 1.8 pp20? -78.32 -33.2 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.207 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.938 -179.599 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.951 0.405 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' OE2' ' A' ' 20' ' ' GLU . 60.1 p -68.14 -156.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.317 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -61.78 -29.47 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . -173.18 49.41 0.16 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.1 tt0 -60.81 -19.34 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.768 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.98 -21.9 9.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.777 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.2 ttp -63.75 -61.27 2.41 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.368 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.827 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -75.62 23.7 0.12 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.827 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -121.22 -45.78 2.33 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.2 pt -51.24 -51.56 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.728 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.13 -27.19 30.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.973 0.416 . . . . 0.0 111.553 -178.821 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 81.6 tt0 -71.28 -37.79 71.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.73 -36.53 9.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.356 0.41 . . . . 0.0 110.658 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.7 t -66.14 -41.6 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.27 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.12 -4.68 42.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.198 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -13.9 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.04 -105.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.002 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -115.63 99.96 7.71 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.59 -35.14 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.446 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -77.21 10.03 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.346 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -156.83 74.91 4.51 Favored Pre-proline 0 CA--C 1.521 -0.162 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.66 153.06 69.79 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 123.082 2.521 . . . . 0.0 112.827 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 21.1 m-85 -86.9 170.75 11.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 110.658 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 6.7 p -116.71 133.52 55.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 35.9 p-10 -24.38 -47.43 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 O-C-N 123.856 0.723 . . . . 0.0 110.822 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.3 tp60 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.8 mt-10 -62.53 -52.19 64.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.462 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.37 -38.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.711 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.79 72.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.181 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.91 -51.78 24.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -62.73 -39.54 85.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.249 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.01 -27.99 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -78.99 -10.86 59.95 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.481 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.11 -18.34 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.1 mmtt -90.3 -70.1 0.69 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 110.07 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 26.13 0.03 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.574 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 58.6 m-85 -103.74 -23.5 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.237 0.541 . . . . 0.0 110.676 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.2 p -86.69 159.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.414 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.62 160.17 14.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.558 . . . . 0.0 111.181 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.1 ttm180 -62.86 -24.58 67.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -82.65 -43.07 17.38 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.176 0.512 . . . . 0.0 110.542 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -32.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.775 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -73.62 -40.37 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.081 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -72.09 -34.57 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 65' ' ' MET . 2.7 m-30 -65.92 -56.39 12.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.581 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' O ' ' O ' ' A' ' 68' ' ' ILE . 1.3 ptp85 -39.89 -31.71 0.13 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.015 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 83.7 tt0 -85.22 -27.71 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -74.58 -35.78 63.03 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.627 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -68.13 -70.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.22 -57.87 0.06 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.3 mt -50.21 133.59 23.88 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.685 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 -58.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.372 2.048 . . . . 0.0 111.975 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 72' ' ' ARG . 53.6 p -147.96 5.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.912 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.7 p 69.6 -20.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.672 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.9 ttp180 -75.6 -36.59 60.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.113 0.483 . . . . 0.0 110.152 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 15.2 mt-10 -64.75 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.816 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HE ' HG23 ' A' ' 68' ' ' ILE . 95.2 mtt-85 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.202 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' NE2' ' O ' ' A' ' 17' ' ' THR . 1.3 t-80 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.5 mmm -65.16 -39.86 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.722 HD12 HD23 ' A' ' 21' ' ' LEU . 18.5 mt -96.73 -178.97 4.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 ' O ' ' NE2' ' A' ' 14' ' ' HIS . 30.9 p -76.35 -155.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.02 -28.15 69.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.349 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.08 48.03 0.15 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.339 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.6 tt0 -60.41 -17.97 47.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -116.18 -23.16 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.728 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.01 -59.24 5.08 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.631 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.798 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -76.67 23.59 0.16 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.096 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -119.04 -48.17 2.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.768 HD11 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -52.17 -54.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.535 -178.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.37 -26.73 30.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.654 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 41.4 tt0 -70.73 -37.57 73.48 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.588 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -88.97 -36.71 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.414 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.6 t -66.26 -41.51 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -74.96 -5.02 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.658 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.52 -0.02 17.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -104.07 -111.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -105.26 100.85 10.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -37.37 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -75.69 -6.9 52.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -137.99 82.93 24.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.18 153.42 56.83 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.694 2.263 . . . . 0.0 112.651 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 21.2 m-85 -87.25 178.38 6.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.2 p -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.929 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.0 p-10 -22.48 -47.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.64 0.587 . . . . 0.0 111.147 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 35.1 tp60 -65.31 -49.77 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.768 0.318 . . . . 0.0 111.598 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.638 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.4 mp0 -63.66 -48.55 76.75 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.419 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.449 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.01 -40.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.19 77.59 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.014 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -66.19 -50.6 63.32 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.665 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.9 mt -65.84 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.99 -30.19 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -76.7 -12.86 60.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -86.89 -19.11 29.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.996 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.601 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.5 mmtt -89.8 -68.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.42 28.61 0.02 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.276 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 54' ' ' VAL . 59.6 m-85 -108.24 -13.3 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 19.91 46.29 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.984 0.802 . . . . 0.0 110.96 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -93.0 139.94 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.695 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 152.93 38.45 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.5 ' NH1' ' H71' ' B' ' 104' ' ' ' DT' . 5.0 tmm_? -60.93 -22.38 64.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.276 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.681 ' HE ' ' H41' ' C' ' 123' ' ' ' DC' . 83.2 mtt85 -65.88 -39.84 91.05 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.079 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -82.02 -42.2 19.64 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.415 0.626 . . . . 0.0 110.464 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -61.54 -33.9 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.4 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.35 71.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.134 0.492 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.07 -37.24 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.641 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -67.02 -59.37 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.406 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.661 HH21 " C3'" ' B' ' 104' ' ' ' DT' . 10.5 ptt85 -43.24 -28.47 0.31 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.435 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -84.68 -30.61 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.1 ptm -73.95 -41.77 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -61.2 -54.79 39.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.144 0.497 . . . . 0.0 110.908 -179.004 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.576 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 151.88 34.35 0.03 OUTLIER Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.344 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 71' ' ' SER . 3.1 mp -129.6 130.23 23.23 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.596 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 56.9 Cg_endo -72.11 -44.68 0.81 Allowed 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.443 2.095 . . . . 0.0 112.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.573 ' C ' ' H ' ' A' ' 72' ' ' ARG . 16.6 p -171.98 13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.365 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.9 m 61.27 -7.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 70' ' ' SER . 73.4 ttt180 -86.32 -35.61 19.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.132 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.97 -39.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.877 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt180 -61.78 -38.47 88.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.733 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -66.73 -45.48 78.52 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.516 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.9 tp . . . . . 0 C--N 1.32 -0.678 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.496 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.131 0 O4'-C1'-C2' 107.905 1.64 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.496 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.622 0 C1'-O4'-C4' 107.775 -1.375 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.249 0 C1'-O4'-C4' 107.085 -1.868 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.661 " C3'" HH21 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.76 0 C4'-C3'-C2' 105.304 2.104 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.542 ' P ' ' NH2' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-C2' 108.216 1.923 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C1'-N19 106.821 -1.223 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.775 0 O4'-C1'-C2' 108.1 1.818 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.111 0 O4'-C1'-C2' 108.279 1.981 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.11 0 O5'-C5'-C4' 112.22 1.443 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.16 0 C4'-C3'-C2' 101.492 -1.708 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.466 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 O4'-C1'-C2' 108.202 1.911 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.521 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.559 0 C1'-O4'-C4' 107.2 -1.785 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.521 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.095 0 C4'-C3'-C2' 105.123 1.923 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.187 0 O4'-C1'-N19 105.766 -2.543 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-C2' 108.076 1.796 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.479 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C1'-C2' 108.068 1.789 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.604 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-C2' 107.847 1.588 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.604 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 C4'-C3'-C2' 104.634 1.434 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.505 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-C2' 108.496 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.554 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.038 0 O4'-C4'-C3' 107.625 2.025 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C4'-C3' 107.935 2.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.509 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.701 0 O4'-C1'-N19 106.226 -1.967 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.681 ' H41' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 C4'-C3'-C2' 104.876 1.676 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 0 O4'-C1'-C2' 107.626 1.387 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O3'-P-O5' 101.173 -1.488 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.184 0 O4'-C1'-C2' 107.538 1.308 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.564 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.801 0 C4'-C3'-C2' 105.31 2.11 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.564 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.263 0 O4'-C1'-N19 106.358 -1.803 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.686 ' N ' ' HZ1' ' A' ' 53' ' ' LYS . 98.0 m-70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 16' ' ' LEU . 67.3 mtt 57.75 56.52 4.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD12 HD23 ' A' ' 21' ' ' LEU . 13.5 mt -47.47 178.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 20' ' ' GLU . 79.2 p -68.57 -159.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.748 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -59.92 -30.87 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.486 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.57 48.54 0.2 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -61.87 -21.03 64.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.758 -0.26 . . . . 0.0 110.76 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -116.33 -20.77 9.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.17 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.717 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.8 ttp -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.912 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.666 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.1 pttp -75.77 16.75 0.36 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.194 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.9 mm? -111.4 -45.22 3.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.909 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.821 HD11 ' CD1' ' A' ' 66' ' ' LEU . 1.8 pt -52.29 -51.59 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.658 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -81.71 -29.12 33.1 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.621 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 81.4 tt0 -72.21 -36.81 69.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.85 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -85.72 -38.5 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.011 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.2 t -65.35 -42.35 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.23 -5.36 41.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.265 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.94 -12.65 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -96.12 -106.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -114.47 100.22 8.14 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.145 0.498 . . . . 0.0 110.089 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.5 -38.35 89.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.803 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.03 7.88 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -157.43 77.86 3.74 Favored Pre-proline 0 CA--C 1.519 -0.247 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.88 151.41 85.33 Favored 'Trans proline' 0 C--N 1.3 -2.016 0 C-N-CA 122.967 2.445 . . . . 0.0 112.468 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 16.1 m-85 -80.53 -176.6 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.998 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' N ' ' A' ' 42' ' ' GLU . 4.4 p -128.45 135.71 49.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' SER . 31.4 p-10 -25.72 -49.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.539 0.524 . . . . 0.0 111.369 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 32.8 tp60 -62.31 -46.8 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.431 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.9 mt-10 -67.03 -49.26 65.79 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.974 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.51 -41.27 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 109.642 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.63 80.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.79 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.89 -49.18 68.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.235 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -66.41 -39.94 85.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.208 0.528 . . . . 0.0 109.909 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.73 -31.93 71.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -75.72 -12.06 60.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.589 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.99 -19.09 27.68 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.798 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -87.77 -68.84 0.73 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.44 0.638 . . . . 0.0 110.259 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.27 29.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.16 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 71.5 m-85 -105.81 -16.61 14.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.686 ' HZ1' ' N ' ' A' ' 14' ' ' HIS . 0.6 OUTLIER 29.3 40.23 0.0 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.652 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.1 p -88.36 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.874 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.528 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.16 163.38 12.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -62.77 -25.1 68.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.746 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.55 ' NH1' ' OP2' ' C' ' 122' ' ' ' DG' . 9.4 mtm180 -66.4 -40.38 89.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.615 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -81.49 -42.99 19.44 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.605 0.717 . . . . 0.0 110.309 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -34.4 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.72 -177.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . . . -71.78 -33.73 68.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.555 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -83.87 -15.46 48.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.197 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD1' HD11 ' A' ' 21' ' ' LEU . 2.5 m-85 -87.51 -45.07 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.585 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.515 HH22 " H3'" ' B' ' 104' ' ' ' DT' . 18.5 ptt85 -62.12 -24.16 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.339 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' OE1' ' OP1' ' B' ' 105' ' ' ' DG' . 81.4 tt0 -83.5 -27.1 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.91 -31.19 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.712 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.7 -70.56 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 179.025 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.2 33.01 0.03 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.476 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.468 HG12 HH11 ' A' ' 74' ' ' ARG . 2.4 mt -137.46 125.29 14.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.663 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.19 -34.76 15.72 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.067 1.845 . . . . 0.0 111.781 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 71' ' ' SER . 26.4 p -173.03 -2.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.666 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' SER . 0.8 OUTLIER 77.8 -29.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.558 0.218 . . . . 0.0 110.689 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.5 ttt-85 -69.07 -38.34 79.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.294 0.569 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.04 -38.74 91.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.973 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.468 HH11 HG12 ' A' ' 68' ' ' ILE . 83.6 mtp180 -62.62 -35.62 80.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.472 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.4 tmt_? -89.4 -71.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.01 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 76' ' ' ILE . 8.4 tp . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.467 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-C2' 107.924 1.658 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.467 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 C1'-O4'-C4' 107.425 -1.625 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.545 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.323 0 C1'-O4'-C4' 106.819 -2.058 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.545 ' H71' " H2'" ' B' ' 103' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 C4'-C3'-C2' 105.062 1.862 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.443 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 106.041 -2.199 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O5'-C5'-C4' 111.94 1.243 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 0 O4'-C1'-C2' 108.011 1.737 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.43 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.052 0 O4'-C1'-C2' 108.159 1.872 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.498 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O5'-C5'-C4' 112.686 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.498 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.286 0 C4'-C3'-C2' 101.878 -1.322 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 O4'-C1'-C2' 108.1 1.819 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.424 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.432 0 C1'-O4'-C4' 107.734 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.424 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 C4'-C3'-C2' 105.137 1.937 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-N19 106.132 -2.085 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.878 0 O4'-C1'-C2' 108.151 1.865 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.609 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.285 0 O4'-C1'-C2' 107.843 1.585 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O3'-P-O5' 101.467 -1.333 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 C3'-C2'-C1' 104.668 1.406 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.517 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.205 0 O4'-C1'-C2' 108.337 2.034 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.578 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 107.298 1.698 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.462 ' OP2' ' N ' ' A' ' 55' ' ' ALA . . . . . . . . 0 C5'--C4' 1.524 1.679 0 O4'-C4'-C3' 108.099 2.499 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.55 ' OP2' ' NH1' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.521 0 O4'-C1'-C2' 107.674 1.431 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.496 ' N4 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.786 0 C4'-C3'-C2' 104.64 1.44 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.407 ' C6 ' " H2'" ' C' ' 123' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O5'-C5'-C4' 112.768 1.834 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.939 0 O4'-C1'-C2' 107.72 1.472 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.098 0 O4'-C1'-C2' 107.548 1.316 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.442 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.606 0 C4'-C3'-C2' 105.237 2.037 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.442 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 C3'-C2'-C1' 104.601 1.358 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.503 ' SD ' ' NZ ' ' A' ' 53' ' ' LYS . 63.5 mtt -63.19 -41.0 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.756 HD12 HD23 ' A' ' 21' ' ' LEU . 21.1 mt -96.63 173.57 7.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.689 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.8 p -73.07 -160.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.609 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.5 -32.22 57.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.318 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.34 52.14 0.17 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.476 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.689 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.2 tt0 -62.54 -19.21 63.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.581 0.229 . . . . 0.0 110.964 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD12 ' A' ' 16' ' ' LEU . 1.8 pp -113.27 -21.22 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.6 ttp -65.03 -63.73 1.04 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.68 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.708 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.56 18.01 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.237 -178.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.02 -46.13 3.13 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.823 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.876 HD11 HD13 ' A' ' 66' ' ' LEU . 2.1 pt -49.7 -51.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.329 -0.549 . . . . 0.0 111.707 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' H ' HG13 ' A' ' 25' ' ' ILE . 1.6 pttp -82.84 -30.05 28.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 111.788 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 82.4 tt0 -70.42 -36.55 74.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.458 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.1 -38.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.6 t -66.5 -33.04 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.623 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -85.66 -5.98 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.637 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.95 -11.48 18.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -94.88 -107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -115.86 100.68 8.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.468 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.85 -38.45 88.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.318 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 40.2 ptt180 -68.0 -19.13 64.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -133.26 83.99 48.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.36 162.07 41.16 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.975 2.45 . . . . 0.0 112.655 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 19.8 m-85 -89.95 -160.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.713 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 p -145.34 131.89 19.83 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.6 p-10 -22.29 -47.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.905 0.384 . . . . 0.0 111.37 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.573 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 36.7 tp60 -64.65 -50.55 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.395 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 39' ' ' SER . 71.1 mm-40 -63.18 -43.87 97.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.5 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.44 -41.18 89.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.7 79.02 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.695 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.75 -51.78 45.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.231 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.607 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.6 mt -64.22 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.023 0.439 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -62.23 -30.99 71.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.796 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -76.12 -11.89 60.01 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.356 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -87.74 -18.7 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.996 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.2 mmtt -90.13 -69.34 0.73 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.332 0.586 . . . . 0.0 110.098 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.74 26.39 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.628 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 54' ' ' VAL . 72.0 m-85 -104.53 -13.3 16.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.107 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' NZ ' ' SD ' ' A' ' 15' ' ' MET . 4.0 ptmt 28.12 37.75 0.0 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.56 155.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.78 162.94 13.35 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.743 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.653 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 3.3 ttt180 -61.13 -23.89 65.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.193 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' HE ' " H2'" ' C' ' 121' ' ' ' DT' . 21.0 mtm-85 -63.95 -39.72 94.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.561 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.485 HG21 ' P ' ' C' ' 120' ' ' ' DG' . 1.9 m -85.87 -43.06 13.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.293 0.568 . . . . 0.0 111.014 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -33.5 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.539 -178.091 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -34.22 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.43 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.64 ' NZ ' ' H41' ' B' ' 107' ' ' ' DC' . 98.2 mttt -81.09 -20.52 41.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.142 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -85.17 -39.59 17.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.486 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 8.4 ptp180 -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 16.8 pt-20 -94.53 -21.07 19.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.813 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 ptm -82.56 -35.22 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.975 0.417 . . . . 0.0 110.389 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.79 -74.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.76 36.08 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.465 ' CG1' HH11 ' A' ' 74' ' ' ARG . 3.9 mp -125.4 106.7 27.31 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.974 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.54 -47.4 27.31 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.475 2.117 . . . . 0.0 111.738 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 72' ' ' ARG . 55.2 p -170.11 15.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.73 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 t 60.37 -9.29 0.06 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.225 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 70' ' ' SER . 72.1 ttt180 -87.87 -37.08 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.061 0.457 . . . . 0.0 110.255 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.08 -36.94 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.163 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.465 HH11 ' CG1' ' A' ' 68' ' ' ILE . 84.0 mtp180 -61.01 -36.16 78.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.528 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.9 ttt180 -65.42 -45.85 82.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.699 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.755 -179.163 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.496 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-C2' 107.675 1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.496 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O4'-C1'-C2' 107.547 1.316 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.42 ' H73' ' C5 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.157 0 C1'-O4'-C4' 106.808 -2.066 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.653 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.708 0 C4'-C3'-C2' 105.003 1.803 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.539 ' O6 ' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-C2' 108.171 1.883 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 106.722 -1.348 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . 0.64 ' H41' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 108.094 1.813 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.41 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.097 0 O4'-C1'-C2' 108.332 2.029 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.495 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.331 0 O5'-C5'-C4' 112.339 1.528 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.495 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.324 0 C4'-C3'-C2' 101.745 -1.455 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.478 ' C5 ' ' H72' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 O4'-C1'-C2' 108.179 1.89 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.623 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 C1'-O4'-C4' 107.779 -1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.623 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 C4'-C3'-C2' 105.295 2.095 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.135 0 O4'-C1'-N19 106.088 -2.139 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.105 0 O4'-C1'-C2' 108.162 1.874 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.097 0 O4'-C1'-C2' 107.809 1.553 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.637 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.19 0 O4'-C1'-C2' 107.875 1.614 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.637 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.792 0 C4'-C3'-C2' 105.643 2.443 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-C2' 109.003 2.639 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.548 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C4'-C3' 107.57 1.97 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.504 " H2'" ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 108.191 2.591 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.559 ' C5 ' ' C4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 106.151 -2.061 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.559 ' C4 ' ' C5 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 C4'-C3'-C2' 104.951 1.751 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 O4'-C1'-C2' 107.697 1.451 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O3'-P-O5' 101.351 -1.394 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.229 0 O3'-P-O5' 101.684 -1.219 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.78 0 C4'-C3'-C2' 104.911 1.711 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.505 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.131 0 O4'-C1'-N19 106.337 -1.829 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.7 mtp -91.82 73.81 5.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.477 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 21' ' ' LEU . 14.8 mt -56.01 175.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' OE1' ' A' ' 20' ' ' GLU . 59.1 p -70.81 -159.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -60.21 -30.49 69.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.51 49.08 0.21 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.7 tt0 -62.48 -15.92 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.292 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -120.46 -21.63 6.75 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.06 0.457 . . . . 0.0 111.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.92 -52.81 58.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.949 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.672 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -80.65 15.69 1.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.914 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.6 mm? -109.19 -48.87 3.2 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.84 ' O ' HG22 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -50.06 -54.85 6.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.559 0.695 . . . . 0.0 111.648 -178.128 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -31.47 63.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.266 0.555 . . . . 0.0 111.207 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 79.4 tt0 -75.68 -41.81 52.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.271 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -69.4 -41.04 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 25' ' ' ILE . 27.5 m -70.65 -38.62 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.077 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.36 2.39 4.93 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.06 -15.4 11.15 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.525 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.46 -110.94 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.87 0.367 . . . . 0.0 111.268 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -111.92 101.8 10.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.17 -39.05 91.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.316 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.3 mtt180 -62.12 -32.14 72.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.044 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -128.99 81.63 70.46 Favored Pre-proline 0 C--N 1.312 -1.023 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.414 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.06 163.87 37.06 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.394 2.063 . . . . 0.0 112.609 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 29' ' ' VAL . 35.8 m-85 -86.92 172.86 9.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.1 p -119.16 137.98 53.24 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.642 ' CA ' HH21 ' A' ' 63' ' ' ARG . 18.7 p-10 -20.4 -48.74 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 124.042 0.839 . . . . 0.0 111.0 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 39' ' ' SER . 2.9 tm0? -60.07 -67.69 0.36 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.134 0.493 . . . . 0.0 110.143 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 96.5 mt-10 -46.72 -49.65 19.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.668 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.49 -39.11 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.4 75.79 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -70.8 -50.74 32.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.717 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.6 HG22 ' CE ' ' A' ' 50' ' ' LYS . 3.8 mt -65.55 -37.93 81.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.85 -24.24 65.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.761 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -84.77 -8.86 58.66 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.35 -8.65 44.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.103 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.6 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.4 mttt -105.48 -63.06 1.28 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.395 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.68 46.36 0.03 OUTLIER Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.502 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -127.74 -14.86 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.578 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.3 OUTLIER 21.73 44.77 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 O-C-N 124.031 0.832 . . . . 0.0 111.357 179.361 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.3 p -94.47 138.74 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.728 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.85 157.94 28.24 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.81 -22.77 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.28 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' NE ' ' N7 ' ' C' ' 122' ' ' ' DG' . 65.4 mtt85 -62.95 -40.18 96.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.059 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -85.91 -40.65 15.68 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.113 0.482 . . . . 0.0 110.558 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -60.5 -30.75 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.084 -178.472 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.29 44.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.91 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 60.7 mmtt -89.57 -17.9 27.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.292 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-30 -90.44 -33.96 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.342 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.642 HH21 ' CA ' ' A' ' 40' ' ' ASP . 8.8 ptp180 -57.85 -29.42 64.96 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.407 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 82.8 tt0 -93.78 -20.79 19.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.408 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.409 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 5.6 ptm -75.18 -37.98 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.966 0.413 . . . . 0.0 110.349 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -70.44 -72.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.748 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.62 36.45 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.275 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -133.31 132.47 22.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.75 -56.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.033 1.822 . . . . 0.0 111.617 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 72' ' ' ARG . 82.0 p -147.33 3.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.245 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 68' ' ' ILE . 0.7 OUTLIER 70.25 -14.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.1 ttt-85 -88.27 -32.38 18.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.53 -39.29 81.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.655 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.472 HH11 HG12 ' A' ' 68' ' ' ILE . 83.3 mtp180 -62.91 -39.73 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.229 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -64.58 -48.7 73.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.58 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.53 HD12 ' NH1' ' A' ' 75' ' ' ARG . 8.0 tp . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 117.928 -1.035 . . . . 0.0 110.696 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.494 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C1'-C2' 107.851 1.592 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.494 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 C1'-O4'-C4' 107.641 -1.471 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.39 0 C1'-O4'-C4' 106.805 -2.068 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.554 ' OP1' ' NH1' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 C4'-C3'-C2' 104.721 1.521 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.35 0 O4'-C1'-N19 105.889 -2.388 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.481 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.93 0 O3'-P-O5' 101.849 -1.132 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.859 0 O4'-C1'-C2' 108.031 1.755 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.027 0 O4'-C1'-C2' 108.141 1.856 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.535 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O5'-C5'-C4' 112.322 1.515 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.535 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.29 0 C4'-C3'-C2' 101.791 -1.409 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.502 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 O4'-C1'-C2' 108.121 1.838 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.532 0 C1'-O4'-C4' 107.394 -1.647 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 C4'-C3'-C2' 105.02 1.82 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 0 O4'-C1'-N19 106.143 -2.072 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-C2' 108.058 1.78 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.608 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.307 0 O4'-C1'-C2' 107.853 1.594 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.622 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O4'-C1'-C2' 107.77 1.518 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.622 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 C3'-C2'-C1' 104.782 1.487 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.504 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.754 0 O4'-C1'-C2' 108.431 2.119 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.55 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C4'-C3' 107.619 2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.102 0 O4'-C4'-C3' 108.11 2.51 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.429 ' O6 ' ' O6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.694 0 O4'-C1'-N19 106.576 -1.53 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.4 " H2'" ' C6 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 O4'-C1'-N19 106.534 -1.582 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.4 ' C6 ' " H2'" ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C1'-N19 106.322 -1.848 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.594 0 O4'-C1'-C2' 107.618 1.38 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.422 -2.209 0 O3'-P-O5' 101.599 -1.264 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 C4'-C3'-C2' 105.105 1.905 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.456 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.115 0 O4'-C1'-N19 106.481 -1.648 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.474 ' H ' " H4'" ' C' ' 120' ' ' ' DG' . 8.9 tpp -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.61 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 21' ' ' LEU . 15.8 mt -91.63 176.64 6.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.779 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.0 p -69.67 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.39 -30.91 65.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.9 51.85 0.15 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.779 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -62.41 -22.95 66.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.763 0.316 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -108.65 -21.91 12.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.94 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.3 ttp -65.84 -61.19 2.2 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.951 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.743 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -76.82 20.98 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.079 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.2 mm? -118.68 -39.79 2.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.8 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.872 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.3 pt -57.77 -46.63 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.184 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -83.34 -25.43 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 111.765 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -70.36 -39.12 74.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.396 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.81 -38.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.279 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.9 t -63.35 -41.77 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.54 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -77.26 2.61 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.771 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.06 -5.78 10.49 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.422 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -95.66 -109.64 0.14 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.26 102.85 11.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.224 0.535 . . . . 0.0 110.504 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.34 -38.17 88.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.564 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -77.02 -7.51 55.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -137.52 82.87 26.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.401 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.87 152.01 51.72 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.614 2.209 . . . . 0.0 112.226 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.6 m-85 -81.04 -163.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.919 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' GLU . 23.6 p -147.04 136.48 22.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' HA ' HD11 ' A' ' 43' ' ' ILE . 35.8 p-10 -25.37 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 O-C-N 123.385 0.428 . . . . 0.0 111.441 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 29.4 tp60 -64.4 -48.82 73.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.31 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' SER . 72.0 mm-40 -61.65 -56.1 23.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.401 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 40' ' ' ASP . 30.1 pt -56.1 -35.51 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.07 84.91 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.637 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.0 t-20 -67.7 -50.0 59.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.871 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.8 mt -64.29 -39.42 85.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.118 0.485 . . . . 0.0 110.355 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.6 mp -61.07 -24.06 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.839 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -84.19 -9.87 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.221 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -91.25 -10.81 40.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.1 mttt -102.56 -66.21 0.94 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.751 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.79 39.88 0.03 OUTLIER Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.526 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' VAL . 69.9 m-85 -120.82 -14.66 8.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.508 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 23.97 41.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.931 0.77 . . . . 0.0 110.921 179.006 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.4 p -91.01 140.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.676 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.63 159.05 21.66 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.42 -24.07 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -66.77 -38.35 86.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.513 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 4.0 m -82.22 -42.18 19.29 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.28 0.562 . . . . 0.0 110.513 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.39 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.205 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.3 84.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.575 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.576 ' HZ3' ' H41' ' B' ' 107' ' ' ' DC' . 98.3 mttt -71.45 -14.41 62.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.8 m-30 -93.25 -43.51 8.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.235 0.541 . . . . 0.0 110.85 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.514 HH12 HG21 ' A' ' 29' ' ' VAL . 13.6 mmm180 -59.87 -7.87 1.91 Allowed 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.228 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.51 9.71 12.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -119.09 -34.68 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.872 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -62.95 -78.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.776 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.23 -51.52 0.02 OUTLIER Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.291 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 71' ' ' SER . 3.4 mt -61.42 134.48 93.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.557 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.96 -56.95 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.181 1.92 . . . . 0.0 111.996 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 72' ' ' ARG . 35.0 p -152.74 11.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.026 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 68' ' ' ILE . 18.8 t 63.12 -7.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.541 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.4 ttt85 -88.22 -34.87 17.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.08 -41.63 81.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.91 -37.94 89.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -63.97 -45.7 87.94 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.421 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.666 -179.383 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.448 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-C2' 107.598 1.361 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.448 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.735 0 C1'-O4'-C4' 107.735 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.402 0 C1'-O4'-C4' 107.491 -1.578 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.462 ' H73' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 C4'-C3'-C2' 105.661 2.461 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C1'-N19 106.199 -2.001 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.008 0 O5'-C5'-C4' 111.906 1.218 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . 0.576 ' H41' ' HZ3' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.582 0 O4'-C1'-C2' 108.212 1.92 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.409 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.332 0 O4'-C1'-C2' 107.91 1.646 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.236 0 O5'-C5'-C4' 112.279 1.485 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.126 0 C4'-C3'-C2' 101.677 -1.523 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.454 0 O4'-C1'-C2' 108.083 1.803 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.431 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 C1'-O4'-C4' 107.488 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.431 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 O4'-C1'-N19 106.155 -2.056 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 0 O4'-C1'-N19 105.763 -2.546 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C1'-C2' 108.166 1.878 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.606 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.274 0 O4'-C1'-C2' 107.8 1.545 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.611 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 O4'-C1'-C2' 107.834 1.576 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.611 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.939 0 C4'-C3'-C2' 104.75 1.55 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.532 ' H42' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.417 0 O4'-C1'-C2' 108.317 2.015 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.584 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 108.017 2.417 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.403 ' H73' ' N ' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.746 0 O4'-C4'-C3' 107.974 2.374 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.429 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.41 -3.31 0 O4'-C1'-N19 106.175 -2.031 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.429 ' C6 ' " H2'" ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.202 0 O5'-C5'-C4' 112.577 1.698 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.403 " H2'" ' C8 ' ' C' ' 125' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 O4'-C1'-C2' 107.768 1.517 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . 0.403 ' C8 ' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O3'-P-O5' 101.248 -1.449 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.044 0 O3'-P-O5' 101.509 -1.311 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C4'-C3' 108.307 2.707 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.327 0 C1'-O4'-C4' 107.354 -1.675 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' MET . 37.1 t-80 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' HIS . 98.2 mmm 38.02 40.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt -69.85 175.15 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.187 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -70.08 -155.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -59.99 -29.54 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.06 50.12 0.13 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.0 tt0 -60.52 -18.97 55.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.644 0.259 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -112.64 -22.88 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.731 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.8 ttp -64.26 -57.95 7.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.72 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttt -77.8 18.45 0.47 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -115.06 -43.94 3.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.074 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.887 HD11 HD13 ' A' ' 66' ' ' LEU . 2.6 pt -52.33 -50.11 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.603 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -82.55 -27.37 31.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.994 0.426 . . . . 0.0 111.763 -179.002 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.2 -38.76 75.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.91 -38.01 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.32 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.6 t -64.21 -42.44 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 81.1 mm-40 -74.5 -7.52 53.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.169 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.76 -12.16 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.96 -108.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.129 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -115.31 99.14 7.18 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.304 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.58 -37.19 85.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.127 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.3 4.07 2.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.404 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -155.78 77.48 4.62 Favored Pre-proline 0 CA--C 1.519 -0.223 0 CA-C-O 121.134 0.492 . . . . 0.0 109.833 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.38 153.46 70.45 Favored 'Trans proline' 0 C--N 1.296 -2.216 0 C-N-CA 123.205 2.603 . . . . 0.0 113.127 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 33.8 m-85 -86.15 169.32 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.283 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.592 ' O ' ' N ' ' A' ' 42' ' ' GLU . 80.3 p -118.19 137.52 52.94 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 40.5 p-10 -25.3 -47.61 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 O-C-N 123.613 0.571 . . . . 0.0 111.099 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 24.7 tp60 -63.75 -49.68 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.643 0.258 . . . . 0.0 111.57 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 39' ' ' SER . 98.4 mt-10 -64.34 -50.9 65.95 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.541 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.67 -39.85 72.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.764 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.69 81.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.968 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -67.84 -50.41 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.396 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 5.0 mt -64.47 -41.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.27 0.557 . . . . 0.0 110.15 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -59.15 -21.49 59.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -83.14 -12.5 56.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.407 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -90.63 -14.52 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 34.7 mmtt -94.15 -68.44 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 110.126 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.32 45.67 0.03 OUTLIER Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 54' ' ' VAL . 57.3 m-85 -128.57 -13.8 4.76 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 19.57 46.83 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 O-C-N 123.922 0.764 . . . . 0.0 111.523 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.6 ' N ' ' O ' ' A' ' 52' ' ' PHE . 2.1 p -90.55 152.68 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.983 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -93.41 161.01 14.55 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.886 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 25.4 ttm180 -63.08 -24.96 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.457 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.738 ' N ' ' HE ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -66.04 -37.65 86.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.071 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.46 HG21 ' P ' ' C' ' 120' ' ' ' DG' . 2.4 m -84.43 -42.11 15.97 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.324 0.583 . . . . 0.0 110.308 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -33.01 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.528 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.1 57.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.697 ' NZ ' ' H41' ' B' ' 107' ' ' ' DC' . 98.9 mttt -93.32 -13.6 27.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.73 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -90.69 -44.96 9.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' CZ ' ' OP1' ' B' ' 104' ' ' ' DT' . 0.8 OUTLIER -61.41 -25.23 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.577 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -87.73 -20.86 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ptm -89.67 -30.46 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.887 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -68.1 -72.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.611 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.76 37.59 0.04 OUTLIER Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -144.81 128.45 8.69 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.06 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.51 -51.3 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.013 1.809 . . . . 0.0 111.566 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' ' 72' ' ' ARG . 45.9 p -156.96 6.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.004 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.472 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.9 OUTLIER 69.91 -26.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.742 -179.71 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' A' ' 70' ' ' SER . 53.0 ttt85 -69.35 -38.33 78.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.233 0.54 . . . . 0.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.928 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.459 HH11 HG12 ' A' ' 68' ' ' ILE . 84.5 mtp180 -62.42 -35.64 79.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.7 tmt_? -88.28 -72.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.901 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' ARG . 4.2 tp . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.382 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.472 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.472 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 C1'-O4'-C4' 107.387 -1.652 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 C1'-O4'-C4' 107.038 -1.901 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.512 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 C4'-C3'-C2' 104.832 1.632 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 O4'-C1'-N19 105.888 -2.391 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.509 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.0 0 O5'-C5'-C4' 111.88 1.2 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . 0.697 ' H41' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 O4'-C1'-C2' 108.175 1.886 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.411 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.11 0 O4'-C1'-C2' 108.344 2.04 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.454 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O5'-C5'-C4' 112.553 1.681 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.454 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.357 0 C4'-C3'-C2' 102.057 -1.143 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.53 0 O4'-C1'-C2' 108.023 1.748 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 C1'-O4'-C4' 107.831 -1.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 0 O4'-C1'-N19 106.081 -2.149 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.177 0 O4'-C1'-N19 105.842 -2.447 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C1'-C2' 108.131 1.846 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.348 0 O4'-C1'-C2' 108.247 1.952 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.844 0 O4'-C1'-C2' 107.853 1.594 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 C4'-C3'-C2' 104.639 1.439 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.068 0 O4'-C1'-C2' 108.412 2.101 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.518 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 P--O5' 1.614 2.063 0 O4'-C1'-C2' 108.136 1.851 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C4'-C3' 108.158 2.558 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.638 0 O4'-C1'-C2' 107.78 1.527 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.403 " H2'" ' C6 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.821 0 O4'-C1'-C2' 107.846 1.588 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.403 ' C6 ' " H2'" ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.849 0 O4'-C1'-N19 106.221 -1.974 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.584 0 O4'-C1'-C2' 107.623 1.385 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.418 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.245 0 P-O3'-C3' 121.233 1.278 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.489 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 C4'-C3'-C2' 105.15 1.95 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.489 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.095 0 O4'-C1'-N19 106.558 -1.552 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.1 -39.51 93.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 21' ' ' LEU . 31.8 mt -103.99 178.41 4.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -76.41 -154.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.454 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.39 -27.33 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.97 49.98 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.346 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.6 tt0 -56.67 -19.7 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -110.24 -23.38 11.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.653 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -66.61 -48.95 67.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.57 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.787 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.0 pttm -90.37 20.67 4.32 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -123.24 -33.3 3.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.681 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -57.15 -47.77 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.603 -178.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -84.1 -23.11 30.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.255 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.47 -37.82 71.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.549 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp -89.65 -38.91 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.155 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 25' ' ' ILE . 70.6 t -63.85 -41.82 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.403 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CD ' ' HE ' ' A' ' 74' ' ' ARG . 79.9 mm-40 -79.21 -4.38 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.861 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 51.0 t-20 -107.59 -10.42 15.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -92.3 -104.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -113.58 101.78 9.66 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.0 -37.93 86.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.489 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -73.86 -5.31 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.346 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -139.19 83.44 17.81 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.668 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.48 151.54 59.27 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.659 2.24 . . . . 0.0 112.295 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HD1' HG13 ' A' ' 29' ' ' VAL . 76.2 m-85 -91.16 167.2 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 41' ' ' GLN . 95.2 p -120.13 139.91 51.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.1 p-10 -23.05 -47.0 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 124.096 0.872 . . . . 0.0 110.925 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.557 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.4 tm0? -62.46 -66.65 0.51 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.222 0.534 . . . . 0.0 110.394 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 98.8 mt-10 -45.54 -54.64 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.372 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -55.89 -38.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.145 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.21 73.59 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.297 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.87 -50.49 28.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.553 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -64.74 -38.49 82.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -61.7 -33.2 73.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.794 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -74.63 -10.22 59.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.316 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -90.09 -18.42 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -90.59 -70.04 0.7 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.31 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 28.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.293 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' N ' ' A' ' 54' ' ' VAL . 67.8 m-85 -106.42 -19.07 13.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.21 38.4 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.692 0.758 . . . . 0.0 110.319 178.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.0 p -89.22 145.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.962 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.76 161.17 20.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -63.54 -24.62 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.769 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HB3' ' H73' ' C' ' 121' ' ' ' DT' . 0.8 OUTLIER -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.88 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 54' ' ' VAL . 1.5 m -80.82 -44.61 18.21 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.534 0.683 . . . . 0.0 110.303 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -30.04 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.761 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.64 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.453 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.44 -37.74 80.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.6 m-30 -66.87 -52.37 44.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.797 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.663 HH21 ' CA ' ' A' ' 70' ' ' SER . 10.6 ptm85 -55.9 -5.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.537 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' OE1' ' O ' ' A' ' 69' ' ' PRO . 37.0 mm-40 -115.23 -1.71 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.099 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.678 ' HG2' HD12 ' A' ' 66' ' ' LEU . 10.4 ptm -102.97 -36.2 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 65' ' ' MET . 5.4 mp -57.48 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.62 30.89 0.03 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.063 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -124.68 125.51 25.5 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.422 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' O ' ' OE1' ' A' ' 64' ' ' GLU . 76.9 Cg_exo -49.37 -44.63 33.63 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.243 1.962 . . . . 0.0 111.421 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.671 ' C ' ' H ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 163.42 32.56 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 111.912 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.447 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 9.4 t 57.7 -14.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.443 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 70' ' ' SER . 70.4 ttp85 -70.72 -42.92 69.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.381 0.61 . . . . 0.0 109.637 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -76.64 -36.29 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.093 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HE ' ' CD ' ' A' ' 30' ' ' GLU . 77.3 mtp85 -59.76 -33.13 71.26 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.776 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.24 -46.65 85.91 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.909 -179.116 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.449 ' H6 ' " O5'" ' B' ' 101' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.051 0 O4'-C1'-C2' 107.382 1.165 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C4 ' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-C2' 107.535 1.305 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C4 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 C4'-C3'-C2' 104.566 1.366 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.498 ' OP1' ' NE ' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.503 0 O4'-C4'-C3' 108.01 2.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 106.041 -2.199 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.994 0 O5'-C5'-C4' 111.883 1.202 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.475 0 O4'-C1'-C2' 108.28 1.982 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O4'-C1'-C2' 108.09 1.809 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.515 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O5'-C5'-C4' 112.344 1.531 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.515 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.303 0 C4'-C3'-C2' 102.075 -1.125 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.508 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 O4'-C1'-C2' 107.952 1.683 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.508 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.568 0 C1'-O4'-C4' 107.413 -1.634 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 0 O4'-C1'-N19 105.997 -2.254 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 O4'-C1'-N19 105.819 -2.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.028 0 O4'-C1'-C2' 108.264 1.968 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.148 0 O4'-C1'-C2' 108.219 1.927 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.594 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.123 0 O4'-C1'-N19 106.185 -2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.594 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.731 0 C4'-C3'-C2' 104.779 1.579 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.493 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.582 0 O4'-C1'-C2' 108.345 2.041 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.565 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.014 0 O4'-C4'-C3' 107.928 2.328 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.404 ' H73' ' HB3' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.342 0 C4'-C3'-C2' 104.924 1.724 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 O4'-C1'-N19 105.976 -2.28 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.469 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.143 0 O5'-C5'-C4' 112.295 1.496 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.469 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.499 0 O4'-C1'-C2' 107.802 1.547 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.65 0 O4'-C1'-C2' 107.7 1.455 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.52 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.424 -2.038 0 O3'-P-O5' 101.322 -1.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.52 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.108 0 O4'-C4'-C3' 108.198 2.598 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.413 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.408 -3.494 0 C1'-O4'-C4' 107.391 -1.649 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 17.1 p80 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.476 ' SD ' ' OP1' ' C' ' 121' ' ' ' DT' . 12.2 ttm -60.74 -44.03 97.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.07 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 21' ' ' LEU . 16.6 mt -95.85 176.38 6.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.8 p -65.04 -161.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.579 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -57.72 -30.67 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.58 53.68 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.819 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -63.34 -31.14 72.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -101.3 -21.42 14.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.701 ' HG3' HD11 ' A' ' 66' ' ' LEU . 4.2 ttp -65.71 -50.47 64.75 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -91.37 18.77 6.73 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.837 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 20' ' ' GLU . 4.2 mm? -119.16 -33.84 4.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -54.13 -48.11 65.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.64 -178.42 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.671 ' H ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -81.23 -22.59 38.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.855 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 38.9 tt0 -68.82 -40.54 79.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.599 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -90.5 -38.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.8 t -63.73 -38.21 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.316 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB3' ' HZ1' ' A' ' 34' ' ' LYS . 80.7 mm-40 -81.72 -5.71 58.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.75 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.81 -14.0 16.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.378 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.53 -105.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -118.22 100.16 7.33 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HZ1' ' HB3' ' A' ' 30' ' ' GLU . 67.2 mttm -61.77 -38.65 88.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.542 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.7 mtt180 -61.82 -32.07 72.35 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.462 0.648 . . . . 0.0 110.979 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -122.36 81.2 45.83 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.077 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.31 158.43 54.48 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.686 2.257 . . . . 0.0 112.782 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -90.03 169.75 10.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.589 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' GLN . 10.4 p -117.23 137.79 52.14 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.924 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 p-10 -18.77 -48.36 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.063 0.852 . . . . 0.0 111.265 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 tm0? -63.16 -67.23 0.44 Allowed 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.185 0.517 . . . . 0.0 110.198 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 99.2 mt-10 -44.82 -48.69 11.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.281 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.33 -38.8 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.448 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.6 76.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.417 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -70.89 -50.7 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.863 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.0 mt -64.23 -37.71 80.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.34 -25.16 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -82.93 -8.96 59.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.468 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -92.31 -13.09 30.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.113 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.0 mttt -98.56 -61.26 1.4 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.613 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.54 32.64 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.794 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 53' ' ' LYS . 66.3 m-85 -112.09 -21.02 11.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.377 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.39 42.21 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.751 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.0 p -88.81 153.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.761 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -91.57 156.25 17.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.2 tmm_? -61.68 -24.93 67.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' NH2' ' OP2' ' C' ' 122' ' ' ' DG' . 0.5 OUTLIER -67.25 -36.39 81.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.568 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 2.5 m -83.03 -43.25 16.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.308 0.575 . . . . 0.0 110.491 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -64.72 -32.58 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.871 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.56 -39.35 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.267 0.556 . . . . 0.0 110.857 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.89 -37.33 70.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.003 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.49 -50.47 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.353 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.642 HH12 ' P ' ' B' ' 105' ' ' ' DG' . 0.7 OUTLIER -48.67 -19.26 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.332 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 1.5 tm-20 -101.98 -22.14 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.66 ' HG2' HD12 ' A' ' 66' ' ' LEU . 8.9 ptm -75.29 -39.3 59.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -62.32 -65.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.971 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 33.95 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG23 ' CD ' ' A' ' 74' ' ' ARG . 1.7 mp -121.78 119.62 28.96 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.234 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.594 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 69.4 Cg_exo -48.52 -63.9 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.673 2.249 . . . . 0.0 111.972 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 71' ' ' SER . 77.9 p -154.05 2.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.719 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 70' ' ' SER . 2.7 p 83.36 -23.71 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' CG ' ' OG ' ' A' ' 70' ' ' SER . 15.5 ptt180 -87.58 -28.82 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.944 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.33 -36.4 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.286 0.565 . . . . 0.0 110.641 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' CD ' HG23 ' A' ' 68' ' ' ILE . 78.5 mtp85 -64.09 -38.32 90.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.729 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -64.17 -46.89 82.0 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.769 -179.29 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.543 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C1'-C2' 107.745 1.496 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.543 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.874 0 O4'-C1'-C2' 107.611 1.373 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 C1'-O4'-C4' 106.783 -2.084 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.471 ' OP1' ' O ' ' A' ' 70' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.323 0 C4'-C3'-C2' 105.695 2.495 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.642 ' P ' HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-N19 105.898 -2.377 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 0 O4'-C1'-N19 106.776 -1.279 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.595 0 O4'-C1'-C2' 108.154 1.868 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-C2' 107.803 1.548 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.6 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.444 0 O5'-C5'-C4' 112.398 1.57 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.6 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.293 0 C4'-C3'-C2' 101.705 -1.495 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.427 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 O4'-C1'-C2' 108.002 1.729 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.427 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.741 0 C1'-O4'-C4' 107.415 -1.632 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.4 ' H72' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.986 0 O4'-C1'-N19 105.978 -2.278 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O4'-C1'-N19 105.855 -2.432 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.295 0 O4'-C1'-C2' 108.002 1.73 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-C2' 108.113 1.83 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.072 0 O4'-C1'-N19 106.351 -1.811 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 C3'-C2'-C1' 104.717 1.441 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.435 ' H42' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-C2' 108.447 2.133 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.568 ' P ' ' CG2' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-C2' 108.429 2.117 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.476 ' OP1' ' SD ' ' A' ' 15' ' ' MET . . . . . . . . 0 O4'--C4' 1.426 -1.851 0 C4'-C3'-C2' 105.42 2.22 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.486 ' OP2' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.226 0 O4'-C1'-N19 106.443 -1.697 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.419 ' C6 ' " H2'" ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.229 0 O5'-C5'-C4' 112.518 1.656 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.756 0 O4'-C1'-N19 106.311 -1.861 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.583 0 O3'-P-O5' 101.353 -1.393 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.474 0 P-O3'-C3' 121.462 1.468 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 C4'-C3'-C2' 105.129 1.929 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.472 ' N6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.31 0 O4'-C1'-N19 106.158 -2.053 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.5 ttp -87.22 71.43 10.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 21' ' ' LEU . 16.9 mt -55.52 178.59 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.948 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.728 HG23 ' OE2' ' A' ' 20' ' ' GLU . 66.9 p -74.88 -155.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -61.64 -26.91 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.97 49.88 0.12 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.728 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.0 tt0 -62.15 -17.23 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -115.92 -22.47 9.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 66' ' ' LEU . 1.7 ttp -63.85 -60.55 3.14 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.682 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.7 pttt -74.14 16.28 0.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -110.43 -50.27 2.98 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.999 HD11 HD13 ' A' ' 66' ' ' LEU . 1.4 pt -41.1 -54.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.726 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 4.4 ptpt -78.26 -33.47 49.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.243 0.545 . . . . 0.0 111.637 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -70.18 -39.41 75.26 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.85 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -82.06 -35.27 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 123.295 0.372 . . . . 0.0 110.539 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 25' ' ' ILE . 56.4 t -71.26 -30.97 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-O 120.723 0.296 . . . . 0.0 110.404 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.89 -4.94 58.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -103.12 -17.09 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -88.97 -106.44 0.08 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -118.72 98.41 6.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -61.27 -37.43 83.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 5.7 ptm180 -66.85 -3.83 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.718 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -157.64 80.53 3.24 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.113 0.482 . . . . 0.0 109.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.19 -172.72 0.14 Allowed 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.032 2.488 . . . . 0.0 112.6 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.9 m-85 -115.66 -170.56 1.8 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.409 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -133.34 135.23 44.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 2.8 p30 -21.33 -48.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 123.637 0.586 . . . . 0.0 111.258 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.9 tp60 -62.96 -53.26 56.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.404 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.7 mm-40 -61.33 -44.22 97.57 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.434 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.11 -40.82 84.5 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.718 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.0 -33.33 75.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.161 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -69.15 -52.78 24.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.568 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -63.39 -39.26 84.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.5 -29.69 70.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -77.23 -10.59 59.51 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.819 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.92 -18.48 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.668 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.6 mmtt -90.78 -69.47 0.73 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.165 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.15 31.0 0.03 OUTLIER Glycine 0 N--CA 1.465 0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.307 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 54' ' ' VAL . 62.9 m-85 -109.49 -17.09 13.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.651 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 29.28 36.1 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.849 0.833 . . . . 0.0 110.621 179.085 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.4 p -86.54 149.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.556 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.49 163.23 13.13 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 111.117 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.651 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 37.6 ttt-85 -62.83 -24.51 67.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.461 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' NE ' ' N7 ' ' C' ' 122' ' ' ' DG' . 45.7 mtt85 -63.98 -38.95 92.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.062 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.496 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 1.8 m -84.98 -44.61 12.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 121.105 0.478 . . . . 0.0 110.778 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -28.44 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.046 -178.348 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.59 49.44 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.981 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -89.04 -21.13 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.4 m-30 -76.79 -34.74 57.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.589 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 12.5 ptp180 -67.59 -8.51 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.64 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.518 ' CG ' ' OP1' ' B' ' 105' ' ' ' DG' . 73.7 mm-40 -96.88 -23.01 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -89.37 -23.74 22.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.999 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -82.23 -72.99 0.41 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 162.17 43.87 0.02 OUTLIER Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.5 mp -136.54 122.5 13.53 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.93 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.36 -55.83 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.343 2.028 . . . . 0.0 112.114 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 72' ' ' ARG . 41.6 p -154.77 8.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.091 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.26 -23.11 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' A' ' 70' ' ' SER . 76.8 ttt180 -70.81 -38.89 73.31 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.208 0.528 . . . . 0.0 110.112 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.74 -35.66 81.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.79 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 92.4 mtt-85 -61.89 -36.15 80.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.084 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.1 tmt_? -91.49 -75.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' ARG . 4.0 tp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.628 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.52 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C1'-C2' 107.277 1.07 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.52 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 C4'-C3'-C2' 104.872 1.672 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.402 0 O5'-C5'-C4' 112.268 1.477 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.651 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.411 0 C4'-C3'-C2' 105.262 2.062 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.518 ' OP1' ' CG ' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.695 0 O4'-C1'-C2' 108.278 1.98 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.527 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.126 0 O4'-C4'-C3' 106.672 1.072 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C1'-C2' 108.153 1.866 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.408 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-C2' 108.164 1.877 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.618 2.452 0 C4'-C3'-C2' 101.579 -1.621 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.085 0 C4'-C3'-C2' 101.75 -1.45 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.422 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-C2' 108.005 1.732 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.422 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.348 0 C1'-O4'-C4' 107.54 -1.543 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 C4'-C3'-C2' 105.438 2.238 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.038 0 O4'-C1'-N19 106.249 -1.939 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C1'-C2' 107.925 1.66 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.506 -2.23 0 O4'-C1'-C2' 107.917 1.652 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-C2' 107.831 1.574 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 C4'-C3'-C2' 104.739 1.539 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.518 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.515 0 O4'-C1'-C2' 108.175 1.886 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.558 ' OP2' ' CE1' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.016 0 O4'-C4'-C3' 107.923 2.323 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C4'-C3' 108.094 2.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.472 ' N7 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 106.702 -1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.736 0 C4'-C3'-C2' 105.015 1.815 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 0 O4'-C1'-C2' 107.568 1.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C1'-C2' 107.83 1.572 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.57 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O3'-P-O5' 101.557 -1.286 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.57 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.597 0 C4'-C3'-C2' 105.572 2.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.406 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.888 0 C3'-C2'-C1' 104.525 1.304 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' A' ' 16' ' ' LEU . 64.3 t-80 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' HIS . 66.0 mtt 35.15 27.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.727 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 HD23 ' A' ' 21' ' ' LEU . 25.7 mt -69.91 174.86 4.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.558 HG23 ' OE2' ' A' ' 20' ' ' GLU . 58.4 p -71.03 -155.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.579 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.43 -27.51 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.419 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.36 50.32 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.553 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.3 tt0 -60.05 -21.07 60.95 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.74 0.305 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 16' ' ' LEU . 1.3 pp -108.46 -21.36 12.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.689 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttp -67.29 -57.27 6.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.736 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.3 pttp -79.21 17.57 0.78 Allowed 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -117.56 -40.86 3.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -53.56 -50.21 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.192 -178.385 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.35 -26.99 30.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.906 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -70.65 -38.86 73.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -86.32 -38.54 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.6 t -64.86 -34.83 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -83.64 -6.93 59.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.98 -10.31 18.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -92.81 -107.72 0.11 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -115.52 101.03 8.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.473 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.747 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 89.7 mtt180 -65.64 -22.8 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.454 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.18 81.38 70.58 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.338 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.47 155.74 62.94 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.85 2.367 . . . . 0.0 112.917 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.8 m-85 -86.76 -160.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.658 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 10.9 p -151.98 139.04 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.033 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.598 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.6 p30 -21.87 -54.57 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 O-C-N 123.943 0.777 . . . . 0.0 111.26 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.2 tm0? -60.55 -67.3 0.41 Allowed 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 121.115 0.484 . . . . 0.0 109.9 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 95.0 mt-10 -39.94 -60.94 0.93 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.378 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 40' ' ' ASP . 34.6 pt -53.9 -35.79 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -64.86 -35.13 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -70.94 -49.8 41.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.994 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.605 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.2 mt -64.17 -39.49 85.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.228 0.537 . . . . 0.0 110.262 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -60.55 -27.58 67.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.861 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -77.79 -13.48 59.88 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.04 -18.73 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -88.82 -69.65 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.347 0.594 . . . . 0.0 110.082 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 25.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' LYS . 63.9 m-85 -103.17 -23.72 13.62 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.014 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 30.98 43.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.701 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.76 144.44 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.15 158.43 26.33 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.725 ' NH1' ' H72' ' B' ' 104' ' ' ' DT' . 5.4 tmm_? -64.4 -21.38 66.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' NH1' ' OP2' ' C' ' 122' ' ' ' DG' . 8.2 mtt180 -66.99 -40.11 87.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.263 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -81.82 -42.69 19.31 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-O 121.271 0.558 . . . . 0.0 110.361 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.54 -33.95 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.684 -178.113 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.78 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.41 -37.77 77.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.422 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -66.39 -63.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.5 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.626 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -46.22 -26.66 0.83 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.073 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 84.1 tt0 -87.15 -21.04 26.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -87.97 -36.71 16.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.689 HD21 ' HG3' ' A' ' 22' ' ' MET . 2.0 mp -63.29 -74.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.581 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 167.41 41.79 0.02 OUTLIER Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.315 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.17 108.05 11.41 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.464 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 51.6 Cg_exo -51.9 -49.47 17.2 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.563 2.175 . . . . 0.0 111.887 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 72' ' ' ARG . 23.8 p -169.04 15.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.385 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t 57.79 -4.84 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.607 ' H ' ' C ' ' A' ' 70' ' ' SER . 74.7 ttt180 -88.16 -35.69 17.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 110.413 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.52 -39.61 81.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.789 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 96.1 mtt180 -62.83 -38.19 89.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.667 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.0 ttt180 -67.29 -47.06 71.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.583 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.5 tp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.641 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.522 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.019 0 O4'-C1'-C2' 107.888 1.625 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.522 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 C1'-O4'-C4' 107.625 -1.482 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 C1'-O4'-C4' 107.324 -1.697 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.725 ' H72' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.548 0 C4'-C3'-C2' 105.376 2.176 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.466 ' P ' ' NH1' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.689 0 O4'-C1'-N19 106.323 -1.846 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O5'-C5'-C4' 112.074 1.339 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 O4'-C1'-C2' 108.068 1.789 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.074 0 O4'-C1'-C2' 108.07 1.791 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.513 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O5'-C5'-C4' 112.486 1.633 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.513 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.287 0 C4'-C3'-C2' 101.748 -1.452 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.516 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C1'-C2' 108.005 1.732 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.516 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.628 0 C1'-O4'-C4' 107.424 -1.626 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 C4'-C3'-C2' 105.287 2.087 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 O4'-C1'-N19 106.135 -2.081 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-C2' 108.002 1.729 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C1'-C2' 107.939 1.672 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.626 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.183 0 O3'-P-O5' 101.25 -1.447 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.626 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 C4'-C3'-C2' 104.907 1.707 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.463 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.456 0 O4'-C1'-C2' 108.418 2.107 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.557 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.526 1.926 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C4'-C3' 108.113 2.513 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.561 ' OP2' ' NH1' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.65 0 O4'-C1'-N19 106.564 -1.545 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 0 C4'-C3'-C2' 104.896 1.696 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-N19 106.589 -1.513 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.505 0 O3'-P-O5' 101.162 -1.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.361 0 O3'-P-O5' 101.539 -1.295 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 C4'-C3'-C2' 105.152 1.952 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.96 0 O4'-C1'-N19 106.515 -1.606 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 53' ' ' LYS . 92.5 m-70 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptp -122.46 69.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD12 HD23 ' A' ' 21' ' ' LEU . 22.4 mt -67.54 172.65 4.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 111.304 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.3 p -71.15 -155.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.675 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.52 -27.53 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.21 48.82 0.13 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 tt0 -58.61 -23.54 59.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -106.47 -23.69 12.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.3 ttp -64.69 -52.58 56.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.74 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.9 pttt -85.05 19.81 2.06 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.022 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -119.68 -36.4 3.33 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.85 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.873 HD11 HD13 ' A' ' 66' ' ' LEU . 4.3 pt -59.96 -44.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.779 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -83.37 -20.81 33.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.982 0.42 . . . . 0.0 111.277 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.93 -41.15 78.51 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.423 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.32 -40.1 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 25' ' ' ILE . 89.0 t -62.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 46.5 mm-40 -77.39 3.85 12.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.351 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.56 0.19 3.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.578 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -91.26 -107.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 0.0 111.152 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -121.23 102.02 8.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.286 0.565 . . . . 0.0 110.721 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -59.96 -37.0 78.31 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.961 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -65.43 -33.9 77.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.56 79.83 54.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.324 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.23 167.96 24.71 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.737 2.291 . . . . 0.0 112.784 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -102.76 160.14 14.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 t -119.17 142.71 47.72 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.03 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 34.2 p-10 -21.49 -48.87 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.175 0.922 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.56 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 2.1 tm0? -60.34 -68.01 0.34 Allowed 'General case' 0 N--CA 1.436 -1.154 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 97.2 mt-10 -46.26 -54.85 8.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.498 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.26 -39.26 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.39 72.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.487 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.78 -50.18 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.693 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 50' ' ' LYS . 3.2 mt -66.79 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.106 0.479 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.4 mp -60.46 -30.86 69.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.677 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -79.33 -7.89 58.67 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.95 -11.89 34.91 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.96 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 46' ' ' ILE . 7.2 mttt -100.36 -62.15 1.28 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.496 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.78 31.08 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.372 -0.918 . . . . 0.0 111.688 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -108.74 -23.15 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.147 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER 29.72 42.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.835 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.3 p -89.84 154.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -89.42 156.64 18.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.925 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' HH11 ' A' ' 57' ' ' ARG . 30.6 ttm180 -61.87 -25.49 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.697 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 11.0 mpt_? -66.31 -37.94 86.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.157 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.434 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.5 m -82.8 -41.7 18.8 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.327 0.584 . . . . 0.0 110.431 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.55 -33.15 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.544 -178.445 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.24 -42.7 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.908 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.82 -37.95 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -65.28 -56.19 14.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.235 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.743 HH12 ' P ' ' B' ' 105' ' ' ' DG' . 0.1 OUTLIER -48.68 -28.24 3.42 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.227 -179.503 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 82.1 tt0 -85.84 -18.72 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.965 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' TYR . 5.9 ptm -91.29 -29.62 17.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.439 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.873 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.75 -76.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.34 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.44 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.486 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mt -51.36 132.7 33.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.774 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.606 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.6 Cg_endo -71.63 -63.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.139 1.893 . . . . 0.0 111.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 72' ' ' ARG . 51.8 p -142.9 5.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m 69.75 -13.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttp180 -85.5 -34.07 21.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.168 0.509 . . . . 0.0 110.333 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.2 mt-10 -65.79 -41.06 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.972 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.594 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 50.8 mtm180 -64.08 -39.34 93.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.661 -179.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -47.22 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.692 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.4 tp . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.672 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.546 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.121 0 O4'-C1'-C2' 107.635 1.396 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.546 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 O4'-C1'-C2' 107.609 1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.206 0 C1'-O4'-C4' 107.029 -1.908 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.457 ' OP2' ' N ' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.416 -2.717 0 C4'-C3'-C2' 105.359 2.159 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.743 ' P ' HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 106.286 -1.892 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.442 ' N2 ' ' O2 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O5'-C5'-C4' 111.835 1.168 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 O4'-C1'-C2' 108.082 1.802 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.44 ' C2 ' ' N3 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C1'-C2' 108.181 1.892 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.501 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O5'-C5'-C4' 112.549 1.678 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.583 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.195 0 C4'-C3'-C2' 101.601 -1.599 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.583 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-C2' 108.083 1.802 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.532 ' H72' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 C1'-O4'-C4' 107.48 -1.586 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.507 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 C4'-C3'-C2' 105.117 1.917 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.092 0 O4'-C1'-N19 106.147 -2.066 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.173 0 O4'-C1'-C2' 108.065 1.786 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.01 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.895 0 O4'-C1'-C2' 107.974 1.704 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 C4'-C3'-C2' 105.603 2.403 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.529 ' N4 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 P--O5' 1.618 2.477 0 O4'-C1'-C2' 108.865 2.514 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.552 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.22 0 O4'-C4'-C3' 107.605 2.005 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.506 ' OP1' ' ND1' ' A' ' 14' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.065 0 O4'-C4'-C3' 108.079 2.479 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.496 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.465 0 O4'-C1'-N19 106.567 -1.541 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.496 ' N4 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 C4'-C3'-C2' 104.873 1.673 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.442 ' O2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.604 0 O4'-C1'-N19 106.548 -1.565 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.959 0 O4'-C1'-C2' 107.806 1.551 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.602 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.28 0 P-O3'-C3' 121.331 1.359 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.602 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.89 0 C4'-C3'-C2' 104.982 1.782 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.514 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 106.434 -1.708 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 50.1 p-80 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.9 mmm -64.23 -39.37 93.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 21' ' ' LEU . 28.8 mt -103.12 177.82 4.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.246 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 ' OE1' ' A' ' 20' ' ' GLU . 49.8 p -75.46 -152.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.598 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.13 -30.07 67.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.7 47.99 0.11 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.616 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.8 tt0 -56.32 -17.23 7.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.775 0.321 . . . . 0.0 110.507 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -112.47 -25.19 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.012 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.811 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.02 -48.35 76.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.617 -179.345 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.684 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -85.92 14.53 5.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.366 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.18 -37.25 4.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.946 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 66' ' ' LEU . 2.3 pt -56.44 -48.03 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.972 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.0 ptpt -79.74 -31.77 41.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.12 0.486 . . . . 0.0 111.585 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -70.45 -38.89 74.57 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.825 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -83.87 -37.67 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.176 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.8 t -66.46 -34.76 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.457 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.55 -5.02 59.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.856 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.01 -12.18 16.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.198 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -96.3 -108.52 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -113.53 99.29 7.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.93 -37.25 86.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.421 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.588 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -70.31 -1.65 11.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.705 -179.587 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -150.25 76.31 8.57 Favored Pre-proline 0 CA--C 1.518 -0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 109.84 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.16 154.38 67.96 Favored 'Trans proline' 0 C--N 1.295 -2.258 0 C-N-CA 123.015 2.476 . . . . 0.0 112.729 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.475 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.6 m-85 -87.87 -177.11 5.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.154 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.3 t -131.97 140.67 49.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.682 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 41.0 p-10 -22.22 -48.24 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.104 0 O-C-N 123.894 0.747 . . . . 0.0 111.424 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.1 tp60 -62.42 -52.96 61.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.782 0.325 . . . . 0.0 111.648 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 42' ' ' GLU . 43.9 mp0 -63.35 -49.48 73.71 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.556 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.97 -41.52 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.47 75.86 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.026 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.14 -51.86 41.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.915 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.61 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.5 mt -64.32 -38.91 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.4 mp -61.27 -32.38 72.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.025 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -75.01 -10.89 59.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.496 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.54 -18.04 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.61 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.3 mmtt -91.41 -68.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.188 0.518 . . . . 0.0 110.131 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.34 29.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.47 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' VAL . 71.8 m-85 -106.74 -16.12 14.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.14 36.88 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.555 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 52' ' ' PHE . 12.4 p -88.83 141.53 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.93 163.96 16.09 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.919 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.554 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.5 ttm180 -64.21 -21.42 66.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.607 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.714 ' NE ' ' H41' ' C' ' 123' ' ' ' DC' . 76.8 mmt-85 -67.61 -40.47 84.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.074 -178.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.425 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.8 m -81.82 -43.63 18.02 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.397 0.618 . . . . 0.0 110.441 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.449 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -64.57 -32.04 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.034 -178.177 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -73.07 -21.07 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.097 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -97.22 -4.89 38.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -93.86 -55.45 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.591 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -42.83 -32.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.998 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -85.21 -24.43 27.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.1 ptm -75.69 -38.41 58.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.5 OUTLIER -68.07 -72.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.31 32.81 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -132.98 133.19 22.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.575 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 55.6 Cg_endo -72.15 -61.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.189 1.926 . . . . 0.0 111.761 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.7 p -147.95 5.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.496 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER 72.18 -25.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.5 ttt180 -70.5 -38.01 74.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.214 0.531 . . . . 0.0 110.067 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.36 -38.27 90.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.918 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HE ' ' HA ' ' A' ' 71' ' ' SER . 85.7 mtm180 -61.93 -35.75 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.588 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -86.58 -71.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.095 0.474 . . . . 0.0 111.113 -179.368 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 72' ' ' ARG . 10.2 tp . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.458 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.542 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-C2' 107.645 1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.542 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.608 0 O4'-C1'-C2' 107.561 1.328 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.298 0 C1'-O4'-C4' 106.94 -1.971 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.43 ' OP2' ' N ' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.421 -2.272 0 C4'-C3'-C2' 105.378 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 105.857 -2.429 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-C2' 107.413 1.193 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.666 0 O4'-C1'-C2' 108.32 2.018 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-C2' 108.052 1.775 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.516 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.35 0 O5'-C5'-C4' 112.236 1.454 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.55 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.434 0 C4'-C3'-C2' 101.735 -1.465 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.55 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 108.042 1.766 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.533 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 C1'-O4'-C4' 107.941 -1.256 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.533 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 C4'-C3'-C2' 105.253 2.053 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 O4'-C1'-N19 106.069 -2.163 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.069 0 O4'-C1'-C2' 108.164 1.876 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.157 0 O4'-C1'-C2' 107.771 1.519 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.643 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.933 0 O4'-C1'-C2' 108.014 1.74 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.643 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.438 0 C4'-C3'-C2' 105.912 2.712 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.484 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.104 0 O4'-C1'-C2' 108.652 2.32 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.549 ' P ' ' HH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C4'-C3' 107.622 2.022 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.405 ' H73' ' N ' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C4'-C3' 108.239 2.639 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.434 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.855 0 O4'-C1'-N19 105.774 -2.533 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.714 ' H41' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.366 0 O5'-C5'-C4' 112.183 1.417 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.467 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 O4'-C1'-C2' 107.952 1.683 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O3'-P-O5' 101.365 -1.387 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.609 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.322 0 O4'-C1'-N19 106.643 -1.446 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.609 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 C4'-C3'-C2' 105.321 2.121 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.412 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 O4'-C1'-N19 106.267 -1.916 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' ' ND1' ' A' ' 14' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.0 mtp 40.51 46.82 2.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 21' ' ' LEU . 15.2 mt -69.34 171.92 7.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -65.69 -159.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.16 -30.94 69.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.54 48.26 0.23 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.501 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.588 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.9 tt0 -61.62 -20.2 63.1 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.601 -0.352 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.16 -20.14 10.54 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.003 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.668 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttt -65.17 -63.92 0.99 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.298 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.811 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -74.27 27.17 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -124.05 -48.0 1.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.12 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 66' ' ' LEU . 1.1 pt -41.21 -54.53 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.874 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -81.15 -23.47 38.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.549 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.14 -39.82 71.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.161 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -88.41 -38.09 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.047 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 25' ' ' ILE . 71.8 t -64.16 -42.87 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.586 ' OE1' ' NH1' ' A' ' 74' ' ' ARG . 80.9 mm-40 -73.97 -5.41 41.12 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.56 -13.95 17.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.947 0.404 . . . . 0.0 110.878 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -96.21 -107.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.99 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -107.89 102.07 11.29 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.226 0.536 . . . . 0.0 110.633 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -37.61 87.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.818 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 52.3 mmt-85 -79.12 -2.87 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.497 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -140.21 83.18 15.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.766 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' SER . 59.7 Cg_endo -71.52 153.8 60.35 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.828 2.352 . . . . 0.0 112.937 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.5 m-85 -86.32 176.07 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.465 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 42' ' ' GLU . 25.1 p -122.66 138.83 54.48 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' OD2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -25.85 -45.41 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 O-C-N 123.683 0.614 . . . . 0.0 110.623 -178.726 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 tp-100 -62.86 -50.17 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.1 mt-10 -66.73 -48.03 70.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.907 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.667 ' CD1' HH21 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -58.99 -40.4 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.514 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.98 82.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.589 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.84 -50.08 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -66.92 -39.12 82.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.222 0.534 . . . . 0.0 110.226 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.39 -30.73 69.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.74 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -76.48 -12.9 60.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.57 -19.41 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.786 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.4 mmtt -87.49 -69.15 0.71 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.377 0.608 . . . . 0.0 109.969 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.43 29.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 54' ' ' VAL . 68.2 m-85 -106.65 -15.05 14.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.985 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 26.06 39.45 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.481 178.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -86.31 158.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.772 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -101.09 159.9 14.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.138 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -62.21 -26.81 68.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.595 ' HE ' ' H41' ' C' ' 123' ' ' ' DC' . 10.4 mpt_? -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.974 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.459 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.4 m -82.7 -42.53 17.96 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 121.533 0.682 . . . . 0.0 110.889 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.21 -37.61 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.865 -177.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 59' ' ' VAL . . . -66.6 -41.76 87.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.33 0.586 . . . . 0.0 110.566 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.62 -38.31 86.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.708 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-85 -66.87 -55.97 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.301 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.669 HH22 ' CB ' ' A' ' 71' ' ' SER . 2.0 ptp180 -46.26 -28.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.641 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -88.15 -24.51 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.605 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.2 ptm -79.02 -40.92 30.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.373 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 25' ' ' ILE . 3.5 mp -60.75 -74.12 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.61 41.36 0.04 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.661 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.704 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -135.48 114.51 11.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -51.8 -48.59 20.73 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -165.04 18.5 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.339 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.704 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 40.0 t 60.28 -8.85 0.06 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.848 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.6 ttp180 -92.62 -32.11 14.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.373 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 76' ' ' ILE . 23.8 mt-10 -77.85 -39.92 41.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.209 0.528 . . . . 0.0 111.582 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.586 ' NH1' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -60.21 -33.59 72.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.732 -179.019 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 3.1 ttt180 -64.14 -46.26 84.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.367 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.635 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.477 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-C2' 107.717 1.47 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.477 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 C1'-O4'-C4' 107.559 -1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.406 ' P ' ' HB3' ' A' ' 39' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.323 0 C1'-O4'-C4' 106.782 -2.084 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.436 ' OP2' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 C4'-C3'-C2' 105.015 1.815 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 O4'-C1'-N19 106.018 -2.228 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 0 O5'-C5'-C4' 111.928 1.234 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-C2' 107.993 1.721 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.9 0 O4'-C1'-C2' 108.033 1.757 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.495 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.224 0 O5'-C5'-C4' 112.436 1.597 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.523 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.264 0 C4'-C3'-C2' 101.796 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.523 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 O4'-C1'-C2' 108.096 1.815 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.494 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 O4'-C1'-C2' 107.545 1.314 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.494 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 C4'-C3'-C2' 105.081 1.881 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.061 0 O4'-C1'-N19 105.871 -2.411 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.972 0 O4'-C1'-C2' 108.041 1.764 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.613 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.975 0 O4'-C1'-C2' 107.771 1.519 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.816 0 O4'-C1'-C2' 108.054 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.355 0 O4'-C4'-C3' 108.317 2.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.512 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.147 0 O4'-C1'-C2' 108.639 2.309 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.574 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.992 0 O4'-C4'-C3' 107.556 1.956 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.695 0 O4'-C4'-C3' 108.127 2.527 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.463 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.573 0 O4'-C1'-C2' 107.606 1.369 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.595 ' H41' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -2.872 0 O4'-C1'-C2' 107.615 1.377 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.584 ' H41' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O5'-C5'-C4' 112.687 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.823 0 O3'-P-O5' 101.144 -1.503 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.505 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.422 -2.205 0 O3'-P-O5' 101.575 -1.277 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.52 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.706 0 C4'-C3'-C2' 105.279 2.079 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.52 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 O5'-C5'-C4' 112.201 1.43 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 18.9 p80 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.634 ' SD ' ' NZ ' ' A' ' 53' ' ' LYS . 66.4 mtt -64.53 -40.54 95.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 21' ' ' LEU . 19.9 mt -85.36 179.08 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.866 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.9 p -76.21 -155.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.472 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -62.92 -28.43 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.0 45.49 0.18 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.331 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.866 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.4 tt0 -57.61 -20.42 32.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.976 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG21 ' A' ' 54' ' ' VAL . 1.8 pp -110.56 -24.14 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.026 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.746 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.6 ttt -64.34 -52.86 56.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.98 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.757 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.4 pttt -85.24 21.12 1.77 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -121.14 -36.86 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.965 HD11 HD13 ' A' ' 66' ' ' LEU . 2.0 pt -50.58 -48.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.847 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' H ' HG13 ' A' ' 25' ' ' ILE . 11.3 pttt -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.446 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -71.26 -38.51 71.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.385 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.7 -38.73 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.3 t -63.41 -43.01 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.26 -4.11 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.03 -17.13 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.36 -106.27 0.08 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -116.52 101.47 8.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -38.25 87.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.13 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.61 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 32.9 ptt-85 -69.65 -18.46 63.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.51 83.79 53.11 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.298 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.43 164.09 35.99 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 123.012 2.475 . . . . 0.0 112.609 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -97.9 164.89 12.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.277 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.6 p -110.99 139.15 46.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 6.0 p30 -21.43 -48.27 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 O-C-N 123.679 0.612 . . . . 0.0 111.193 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.588 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.5 tp60 -64.8 -50.16 67.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -64.45 -43.82 93.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.238 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.34 -40.47 86.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.9 79.28 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.192 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.26 -49.84 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.035 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.4 mt -65.18 -39.51 85.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 0.0 109.958 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.7 mp -60.37 -27.35 67.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.613 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -82.16 -9.47 59.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.636 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.04 -13.17 33.73 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.009 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.627 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.2 mttt -99.2 -59.35 1.74 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 120.965 0.412 . . . . 0.0 110.605 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.82 32.22 0.02 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.84 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' VAL . 81.3 m-85 -109.9 -20.11 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.634 ' NZ ' ' SD ' ' A' ' 15' ' ' MET . 0.5 OUTLIER 29.14 40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.676 HG21 HD22 ' A' ' 21' ' ' LEU . 7.6 p -91.73 137.41 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.543 ' H ' ' P ' ' C' ' 121' ' ' ' DT' . . . -75.1 158.58 32.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.233 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.16 -21.86 66.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.629 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' NE ' ' O6 ' ' B' ' 106' ' ' ' DG' . 2.4 tpt180 -68.39 -40.41 81.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.837 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.608 ' OG1' ' H71' ' C' ' 121' ' ' ' DT' . 2.1 m -79.5 -43.1 23.8 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.568 0.699 . . . . 0.0 109.842 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -32.93 60.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.331 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.619 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -72.07 -39.98 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.025 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -16.54 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.235 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CZ ' ' OP2' ' C' ' 120' ' ' ' DG' . 3.1 m-30 -88.34 -52.3 5.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.619 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -49.12 -27.83 3.79 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.475 -179.565 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 79.3 tt0 -87.94 -20.89 25.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.636 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.3 ptm -84.1 -34.43 24.13 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.59 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.965 HD13 HD11 ' A' ' 25' ' ' ILE . 2.2 mp -69.9 -75.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 68' ' ' ILE . . . -179.51 42.22 0.08 OUTLIER Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 67' ' ' GLY . 3.4 mp -141.05 107.16 6.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.72 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.593 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 50.5 Cg_exo -53.0 -54.66 4.7 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.523 2.149 . . . . 0.0 111.917 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -148.74 6.87 0.73 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 111.225 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.74 -9.51 0.34 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.666 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.533 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.7 ttp180 -94.6 -30.23 14.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.908 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 2.9 pp20? -83.22 -35.44 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.763 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.67 -41.98 87.4 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.925 -179.553 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.61 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -62.33 -47.43 84.27 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.545 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' OXT' ' O ' ' A' ' 73' ' ' GLU . 9.1 tp . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.649 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.44 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C1'-C2' 107.629 1.39 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.44 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.484 0 C1'-O4'-C4' 107.503 -1.569 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 0 C1'-O4'-C4' 107.581 -1.514 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.463 ' OP1' ' O ' ' A' ' 70' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.367 0 C4'-C3'-C2' 105.781 2.581 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.463 ' OP1' ' OE2' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.724 0 O4'-C1'-N19 106.075 -2.156 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.543 ' O6 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.037 0 O5'-C5'-C4' 111.875 1.196 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 0 O4'-C1'-C2' 108.093 1.811 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.581 ' C2 ' ' C2 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.155 0 O4'-C1'-C2' 108.051 1.774 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.581 ' C2 ' ' C2 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.209 0 O5'-C5'-C4' 112.612 1.723 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.599 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.2 0 C4'-C3'-C2' 101.722 -1.478 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.469 ' C4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 O4'-C1'-C2' 107.958 1.689 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.571 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.905 0 C1'-O4'-C4' 108.073 -1.162 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.571 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.963 0 O4'-C1'-N19 106.201 -1.999 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.913 0 O4'-C1'-N19 106.104 -2.12 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.067 0 O4'-C1'-C2' 107.998 1.725 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.275 0 O4'-C1'-C2' 107.819 1.563 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.624 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.784 0 O4'-C1'-C2' 107.909 1.645 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.624 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.495 0 C4'-C3'-C2' 105.799 2.599 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.402 " C5'" ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-C2' 108.815 2.468 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.075 0 C4'-C3'-C2' 105.007 1.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.608 ' H71' ' OG1' ' A' ' 58' ' ' THR . . . . . . . . 0 O4'--C4' 1.419 -2.477 0 C4'-C3'-C2' 105.039 1.839 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O4'-C1'-N19 105.977 -2.278 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.444 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 P--O5' 1.616 2.314 0 O5'-C5'-C4' 112.339 1.528 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.444 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.62 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O3'-P-O5' 101.382 -1.378 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.094 0 O4'-C1'-N19 106.784 -1.271 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C4'-C3' 108.102 2.502 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 0 C1'-O4'-C4' 107.587 -1.509 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.1 ttp 52.78 65.31 1.55 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.264 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 HD23 ' A' ' 21' ' ' LEU . 15.3 mt -59.15 176.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 20' ' ' GLU . 80.4 p -68.12 -157.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.564 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -59.78 -28.83 67.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.297 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.23 49.84 0.13 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.614 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -60.94 -21.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.777 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -111.95 -22.32 11.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.762 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.6 ttp -64.2 -59.13 4.79 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.025 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.738 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.2 pttt -76.73 19.45 0.28 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.156 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -116.02 -43.23 3.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.0 pt -55.04 -49.26 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.587 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -83.19 -25.11 32.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.024 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -71.29 -38.3 71.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -88.4 -38.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' ILE . 67.3 t -63.97 -42.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.665 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.75 -0.06 22.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.836 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.74 -7.81 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.251 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -93.73 -109.59 0.12 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.352 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -120.28 101.01 7.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.664 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.43 -37.5 81.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.272 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.3 mtt180 -60.57 -32.73 71.81 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.476 0.655 . . . . 0.0 110.569 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -120.69 78.65 30.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 71' ' ' SER . 62.0 Cg_endo -69.65 154.64 67.92 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.574 2.183 . . . . 0.0 113.024 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -88.66 166.81 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.484 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' C ' ' A' ' 40' ' ' ASP . 19.6 p -120.04 142.53 48.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.664 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.8 p-10 -24.71 -49.61 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 124.02 0.825 . . . . 0.0 111.097 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.6 tm0? -59.59 -67.51 0.37 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.307 0.575 . . . . 0.0 109.947 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 79.6 mm-40 -42.88 -58.89 2.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.431 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -52.52 -38.52 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.8 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.43 74.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.199 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -72.46 -49.11 35.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.867 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -63.71 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.04 -28.09 68.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -78.33 -12.33 60.0 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.72 -18.8 28.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.0 mmtt -89.53 -69.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 109.86 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.72 26.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.623 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 63.9 m-85 -103.59 -19.91 14.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.221 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 28.69 44.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.715 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -89.66 157.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -95.72 161.94 13.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.681 ' NH2' HH12 ' A' ' 57' ' ' ARG . 46.4 ttp180 -65.32 -23.32 66.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.206 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.681 HH12 ' NH2' ' A' ' 56' ' ' ARG . 9.6 mpt_? -67.03 -37.4 84.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.511 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.4 m -84.62 -42.09 15.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 110.475 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.85 -33.41 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.789 -178.448 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.05 -38.15 72.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.92 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' NZ ' ' N7 ' ' B' ' 106' ' ' ' DG' . 67.4 mttm -73.42 -37.83 65.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.371 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.606 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.9 m-30 -65.14 -48.25 74.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.877 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.623 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -68.55 -2.25 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.259 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -98.79 -24.5 14.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp -98.08 -29.74 13.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.841 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.69 -71.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.601 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 169.39 45.44 0.03 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.518 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -148.08 127.32 6.34 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.579 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 57.5 Cg_endo -72.22 -37.09 4.87 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.066 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 72' ' ' ARG . 47.5 p -175.24 6.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.621 179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 68' ' ' ILE . 16.8 p 65.18 -9.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.677 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.4 ttt180 -89.99 -34.2 16.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.408 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' ' OXT' ' A' ' 76' ' ' ILE . 21.2 mt-10 -71.59 -39.65 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt-85 -62.46 -38.46 89.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.423 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 1.4 ttt180 -65.89 -47.1 75.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.755 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' OXT' ' O ' ' A' ' 73' ' ' GLU . 10.5 tp . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.638 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.469 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.142 0 O4'-C1'-C2' 107.836 1.578 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.469 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 C1'-O4'-C4' 107.701 -1.428 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 0 C1'-O4'-C4' 106.923 -1.984 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.439 ' OP2' ' OD1' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 C4'-C3'-C2' 104.851 1.651 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-N19 105.674 -2.657 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.448 ' N7 ' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.075 0 O4'-C1'-N19 106.809 -1.238 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C1'-C2' 108.169 1.881 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.426 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.203 0 O4'-C1'-C2' 108.283 1.984 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.116 0 O4'-C1'-N19 106.612 -1.485 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.275 0 C4'-C3'-C2' 101.745 -1.455 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C1'-C2' 108.092 1.811 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.424 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.592 0 C1'-O4'-C4' 107.521 -1.557 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.424 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-N19 106.117 -2.104 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 105.745 -2.569 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.221 0 O4'-C1'-C2' 108.194 1.903 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.578 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.187 0 O4'-C1'-C2' 107.989 1.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.601 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.893 0 O4'-C1'-C2' 107.69 1.445 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.601 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.894 0 C4'-C3'-C2' 104.566 1.366 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.524 ' H42' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 O4'-C1'-C2' 108.475 2.159 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.585 ' OP2' ' CZ ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C4'-C3' 107.635 2.035 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.759 0 O4'-C4'-C3' 108.364 2.764 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.411 ' O6 ' ' O6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.85 0 O4'-C1'-N19 106.407 -1.742 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 0 C4'-C3'-C2' 104.92 1.72 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.789 0 O4'-C1'-N19 106.446 -1.693 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.623 0 O4'-C1'-C2' 107.755 1.504 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.441 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.442 0 O3'-P-O5' 101.547 -1.291 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.532 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.873 0 C4'-C3'-C2' 105.007 1.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.532 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.238 0 O4'-C1'-N19 106.273 -1.909 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' LEU . 5.5 t60 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' HIS . 30.5 ttp 34.0 34.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.796 HD12 HD23 ' A' ' 21' ' ' LEU . 19.2 mt -74.26 170.93 14.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.306 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.8 p -64.77 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.518 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.93 -28.02 67.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.38 48.75 0.14 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.764 ' OE1' HG23 ' A' ' 17' ' ' THR . 3.1 tt0 -60.03 -18.38 45.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.646 0.26 . . . . 0.0 111.145 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.45 -20.23 10.33 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.985 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.733 ' HG3' HD21 ' A' ' 66' ' ' LEU . 3.8 ttp -67.43 -59.92 3.0 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.663 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.822 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttm -77.72 27.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.24 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.822 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -125.92 -47.3 1.66 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.857 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.1 pt -46.23 -51.14 4.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.122 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -82.55 -25.42 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -84.64 -38.3 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.817 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.1 t -64.29 -42.07 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.412 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 80.4 mm-40 -77.73 -5.4 50.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.357 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 54.5 t-20 -103.05 -14.27 16.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.991 0.424 . . . . 0.0 110.809 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -92.39 -103.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -115.71 101.01 8.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.5 mttp -62.52 -38.55 90.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.363 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 13.8 mtp85 -72.06 -14.82 61.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.85 83.43 46.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.483 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.03 158.6 45.65 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.877 2.385 . . . . 0.0 112.593 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.1 m-85 -90.91 -170.92 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.375 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 p -133.78 137.08 44.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 56' ' ' ARG . 38.8 p-10 -24.83 -44.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.319 0.387 . . . . 0.0 111.377 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.8 tp60 -66.53 -48.1 70.78 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.4 mm-40 -66.17 -41.77 89.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.324 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.33 -41.11 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.92 82.33 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.035 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.23 -49.95 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.168 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.26 -40.17 87.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.124 0.488 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.26 -29.5 68.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.817 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -77.31 -12.39 59.95 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.69 -19.04 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 32.0 mmtt -87.67 -69.4 0.69 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.436 0.636 . . . . 0.0 110.113 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 28.06 0.02 OUTLIER Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.3 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 71.2 m-85 -104.36 -22.16 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.26 0.01 OUTLIER 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.667 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 21' ' ' LEU . 6.8 p -91.19 139.8 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.749 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.59 157.64 30.2 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.394 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.633 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 3.2 tmt_? -63.75 -19.95 65.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.663 ' HE ' ' H41' ' C' ' 123' ' ' ' DC' . 10.6 mpt_? -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -82.07 -42.53 19.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.322 0.582 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -64.61 -34.09 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.029 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -69.96 -41.69 74.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.96 -38.25 82.56 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -63.52 -51.36 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.907 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 6.5 ptp180 -48.22 -20.4 0.37 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.799 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 62' ' ' TYR . 80.2 tt0 -93.8 -22.12 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.632 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 66' ' ' LEU . 3.1 ppp? -83.01 -29.37 28.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.012 0.434 . . . . 0.0 110.505 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.857 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -75.55 -73.09 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.45 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.56 41.57 0.02 OUTLIER Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.371 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.7 mp -136.38 124.54 15.01 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.488 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.31 -39.66 3.68 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.088 1.858 . . . . 0.0 111.47 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 72' ' ' ARG . 43.3 p -169.75 10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.578 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.489 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 11.8 p 64.85 -10.75 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.7 ttt180 -85.63 -37.04 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.223 0.535 . . . . 0.0 110.074 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' OXT' ' A' ' 76' ' ' ILE . 24.1 mt-10 -70.34 -39.11 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.224 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.755 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.2 ttt180 -66.41 -46.69 75.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.3 tp . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.624 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.453 ' H6 ' " O5'" ' B' ' 101' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C1'-C2' 107.312 1.102 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.421 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.636 0 O4'-C1'-C2' 107.73 1.482 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.214 0 O5'-C5'-C4' 112.189 1.42 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.633 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 C4'-C3'-C2' 104.936 1.736 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.431 ' O6 ' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 105.997 -2.254 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.448 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O5'-C5'-C4' 111.915 1.225 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 O4'-C1'-C2' 108.18 1.891 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-C2' 108.072 1.793 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.452 0 O5'-C5'-C4' 112.552 1.68 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.339 0 C4'-C3'-C2' 101.768 -1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-C2' 108.125 1.841 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.502 0 C1'-O4'-C4' 107.52 -1.557 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.937 0 C4'-C3'-C2' 104.999 1.799 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.9 0 O4'-C1'-N19 105.919 -2.352 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.908 0 O4'-C1'-C2' 108.23 1.936 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.585 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-C2' 107.931 1.665 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 O3'-P-O5' 101.345 -1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.798 0 C3'-C2'-C1' 104.643 1.388 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.483 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C1'-C2' 108.406 2.097 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.557 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.612 2.012 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 108.165 2.565 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.437 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 O4'-C1'-C2' 107.786 1.533 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.663 ' H41' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.83 0 O4'-C1'-C2' 107.841 1.582 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.657 ' H41' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O5'-C5'-C4' 112.813 1.867 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O3'-P-O5' 101.578 -1.275 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.279 0 O3'-P-O5' 101.384 -1.377 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 108.482 2.882 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.353 0 C1'-O4'-C4' 107.511 -1.564 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.9 m80 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.5 mtt -62.67 -42.03 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.115 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 21' ' ' LEU . 22.5 mt -101.72 178.94 4.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.876 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.5 p -75.04 -159.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.685 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -33.9 61.01 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.33 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.06 51.27 0.17 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.644 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.9 tt0 -60.72 -23.16 64.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.668 0.271 . . . . 0.0 110.984 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -109.4 -20.88 12.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.711 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.9 ttp -66.1 -58.56 5.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.218 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.73 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.0 pttp -79.39 20.82 0.52 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.044 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -118.23 -42.52 2.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.871 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.968 HD11 HD13 ' A' ' 66' ' ' LEU . 4.1 pt -53.66 -48.07 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.315 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.47 -27.45 27.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.885 0.374 . . . . 0.0 111.382 -179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 78.9 tt0 -71.52 -35.45 70.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.128 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -89.16 -39.02 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.3 t -64.62 -42.44 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' OE1' ' NH2' ' A' ' 74' ' ' ARG . 95.9 mt-10 -75.36 -5.73 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.145 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -106.12 -10.98 16.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.273 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -92.75 -109.7 0.11 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.967 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -115.59 100.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.0 -38.49 88.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.393 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 91.1 mtt-85 -62.25 -33.07 73.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 78.87 29.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.143 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.62 152.42 64.87 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.674 2.25 . . . . 0.0 112.835 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 38.7 m-85 -84.32 -177.06 6.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.591 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.2 p -133.0 140.78 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.351 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' H ' ' NH1' ' A' ' 63' ' ' ARG . 37.5 p-10 -24.08 -48.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.152 0.283 . . . . 0.0 111.492 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.6 tp60 -63.08 -50.47 70.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.766 0.317 . . . . 0.0 111.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mp0 -64.59 -44.14 91.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.878 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.461 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.96 -41.36 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.29 80.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.967 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -66.32 -50.43 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.079 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.4 -40.17 87.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.265 0.555 . . . . 0.0 110.19 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -60.84 -27.93 68.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -79.21 -11.68 59.96 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.46 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.73 -19.25 27.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -89.16 -68.35 0.78 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.321 0.581 . . . . 0.0 110.007 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 31.11 0.02 OUTLIER Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.094 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.615 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -109.47 -12.73 14.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 21.22 43.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.135 0 O-C-N 123.983 0.802 . . . . 0.0 110.925 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.615 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -90.38 157.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -96.72 160.2 14.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.216 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 26.7 ttm180 -61.29 -24.79 66.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.751 ' NE ' ' H41' ' C' ' 123' ' ' ' DC' . 74.4 mmt-85 -66.46 -41.11 89.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.347 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.512 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.5 m -80.35 -42.75 22.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.53 0.681 . . . . 0.0 110.338 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -33.76 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.72 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.05 -41.38 74.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.65 ' NZ ' ' H41' ' B' ' 107' ' ' ' DC' . 98.1 mttt -68.14 -39.32 82.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -65.38 -46.75 78.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.828 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.574 ' NH1' ' H ' ' A' ' 40' ' ' ASP . 15.6 ptm180 -67.75 -19.55 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.221 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' OE1' ' OP1' ' B' ' 105' ' ' ' DG' . 81.2 tt0 -86.56 -23.5 25.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.651 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ptm -96.8 -31.07 12.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.968 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -61.85 -71.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 110.868 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.25 36.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.467 HG12 HH11 ' A' ' 74' ' ' ARG . 3.8 mp -135.87 127.52 17.31 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.71 -42.93 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.251 1.968 . . . . 0.0 111.76 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.588 ' C ' ' H ' ' A' ' 72' ' ' ARG . 21.1 p -172.13 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.346 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' NH2' ' A' ' 63' ' ' ARG . 2.5 m 61.06 -8.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.8 ttt180 -85.17 -37.55 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.218 0.532 . . . . 0.0 110.105 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ILE . 24.0 mt-10 -70.25 -39.68 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.196 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.479 ' NH2' ' OE1' ' A' ' 30' ' ' GLU . 83.1 mtp180 -62.83 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.449 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -64.26 -46.27 84.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.533 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' A' ' 73' ' ' GLU . 8.9 tp . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.626 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.491 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-C2' 107.384 1.167 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.491 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.581 0 O4'-C1'-C2' 107.574 1.34 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.276 0 O5'-C5'-C4' 111.79 1.135 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.515 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.243 0 C4'-C3'-C2' 105.443 2.243 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.412 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C1'-N19 106.185 -2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 0 O5'-C5'-C4' 111.891 1.208 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . 0.65 ' H41' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.629 0 O4'-C1'-C2' 108.347 2.043 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.455 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.042 0 O4'-C1'-C2' 108.052 1.774 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.534 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.617 2.416 0 O5'-C5'-C4' 112.386 1.562 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.534 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.231 0 C4'-C3'-C2' 101.766 -1.434 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.502 ' C7 ' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 108.127 1.843 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.662 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 C1'-O4'-C4' 107.992 -1.22 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.662 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 C4'-C3'-C2' 105.11 1.91 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O4'-C1'-N19 106.174 -2.032 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.818 0 O4'-C1'-C2' 108.012 1.738 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.618 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-C2' 107.676 1.433 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.634 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.803 0 O4'-C1'-C2' 107.994 1.722 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.634 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 C4'-C3'-C2' 106.007 2.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.488 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-C2' 108.931 2.574 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.292 0 O4'-C4'-C3' 107.558 1.958 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.197 0 O4'-C4'-C3' 108.203 2.603 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.418 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 O4'-C1'-N19 105.958 -2.302 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.751 ' H41' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 P--O5' 1.616 2.319 0 O5'-C5'-C4' 112.186 1.419 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.537 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.301 0 O4'-C1'-C2' 107.921 1.656 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.014 0 O3'-P-O5' 101.378 -1.38 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.216 0 O3'-P-O5' 101.493 -1.319 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.502 ' C6 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C4'-C3' 108.451 2.851 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.502 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.397 0 C1'-O4'-C4' 107.269 -1.736 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.7 mmm -63.99 -40.14 95.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.77 HD12 HD23 ' A' ' 21' ' ' LEU . 19.7 mt -96.5 176.69 5.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.106 0.479 . . . . 0.0 111.1 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.2 p -69.32 -153.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.44 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.41 -27.94 67.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.4 tt0 -54.68 -17.81 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -113.56 -25.55 8.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.37 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.818 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.65 -47.41 81.39 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -88.62 19.75 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -120.29 -33.63 3.85 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.062 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.792 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.5 pt -62.68 -46.13 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.733 . . . . 0.0 111.096 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -84.19 -23.56 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 111.392 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.76 -39.45 76.71 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.557 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 pp -89.85 -38.14 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.0 t -63.31 -41.49 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.384 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.41 0.47 22.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.78 -0.23 11.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -100.35 -111.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -114.61 103.06 10.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.22 -39.53 90.61 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.262 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -70.33 -14.46 62.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.389 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -133.51 83.28 49.39 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.375 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' SER . 61.3 Cg_endo -71.97 155.29 57.65 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.92 2.413 . . . . 0.0 112.727 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.462 ' CB ' HG23 ' A' ' 43' ' ' ILE . 70.2 m-85 -88.66 161.72 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.319 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.4 p -113.63 140.56 48.1 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.3 p-10 -27.29 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.784 0.678 . . . . 0.0 110.918 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 27.7 tp60 -62.3 -49.55 75.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.1 mm-40 -63.06 -56.35 17.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.631 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -53.26 -38.54 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.163 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.099 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.89 -50.69 54.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.432 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.7 mt -64.67 -39.22 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.4 -31.11 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -77.3 -11.8 59.88 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.507 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -87.25 -19.17 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 46' ' ' ILE . 28.6 mmtt -90.0 -70.15 0.68 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.098 0.475 . . . . 0.0 109.925 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.47 20.85 0.02 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.024 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -96.58 -19.18 19.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.7 ptmt 27.32 43.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 123.842 0.714 . . . . 0.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.566 HG22 ' N ' ' A' ' 55' ' ' ALA . 2.4 p -86.27 162.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.705 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.566 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.94 154.18 17.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.52 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.92 -31.74 70.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.701 ' HE ' ' N4 ' ' C' ' 123' ' ' ' DC' . 2.2 tpt85 -66.27 -35.61 80.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.635 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.567 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 2.9 m -77.46 -44.68 28.11 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.579 0.704 . . . . 0.0 110.064 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -30.96 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.642 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 -27.1 60.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -89.54 -13.01 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.5 m-30 -91.65 -43.05 9.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.966 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.606 HH22 ' P ' ' B' ' 105' ' ' ' DG' . 0.0 OUTLIER -52.57 -29.76 27.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.796 -179.749 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 42.6 tt0 -89.35 -24.62 21.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 62' ' ' TYR . 4.8 ptm -78.02 -21.73 50.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.774 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.818 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.6 OUTLIER -87.68 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.964 0.411 . . . . 0.0 110.905 -179.423 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.08 32.3 0.02 OUTLIER Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.13 103.61 10.6 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 52.1 Cg_exo -52.21 -47.95 24.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.698 2.266 . . . . 0.0 111.686 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 72' ' ' ARG . 33.9 p -162.95 12.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.503 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 3.9 t 64.27 -9.44 0.16 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.815 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttt85 -89.82 -34.57 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ILE . 19.4 mt-10 -71.57 -39.4 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -62.65 -38.49 90.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.315 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -67.22 -45.68 76.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.687 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' O ' ' O ' ' A' ' 73' ' ' GLU . 7.5 tp . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.612 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.463 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.199 0 O4'-C1'-C2' 107.549 1.317 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.463 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 107.342 1.129 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 C1'-O4'-C4' 107.009 -1.922 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.421 " H3'" HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.705 0 C4'-C3'-C2' 105.735 2.535 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.641 ' C5 ' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.627 0 O4'-C1'-N19 106.137 -2.078 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.56 ' O6 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 O5'-C5'-C4' 111.667 1.048 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 O4'-C1'-C2' 107.907 1.642 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.462 0 O4'-C1'-C2' 108.031 1.755 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.523 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.241 0 C4'-C3'-C2' 101.296 -1.904 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.523 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.44 0 C4'-C3'-C2' 101.62 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.429 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.88 0 O4'-C1'-C2' 107.918 1.653 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.429 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.436 0 C1'-O4'-C4' 107.688 -1.437 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.129 0 C4'-C3'-C2' 105.329 2.129 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 0 O4'-C1'-N19 105.907 -2.366 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.852 0 O4'-C1'-C2' 107.939 1.672 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.405 " H2'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.132 0 O4'-C1'-C2' 108.171 1.883 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.61 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.341 0 O4'-C1'-N19 106.422 -1.722 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.61 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.045 0 C4'-C3'-C2' 104.812 1.612 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.478 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.216 0 O4'-C1'-C2' 107.972 1.702 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.569 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 P--O5' 1.613 1.983 0 O4'-C4'-C3' 107.747 2.147 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.504 ' OP2' ' N ' ' A' ' 55' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -1.955 0 C4'-C3'-C2' 105.378 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.415 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.414 -2.881 0 O4'-C1'-N19 106.735 -1.332 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.701 ' N4 ' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.175 0 O5'-C5'-C4' 112.188 1.42 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.507 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-C2' 107.658 1.416 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 0 O3'-P-O5' 100.946 -1.607 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.415 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.281 0 O3'-P-O5' 101.321 -1.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.42 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 C4'-C3'-C2' 105.394 2.194 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.434 ' C2 ' ' C2 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.998 0 O4'-C1'-N19 106.637 -1.454 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 17' ' ' THR . 11.6 t-80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 80.0 mtp -63.03 -41.12 99.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.263 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD12 HD23 ' A' ' 21' ' ' LEU . 16.7 mt -96.75 -178.56 4.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.598 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 65.5 p -75.15 -159.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -34.17 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.256 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.24 53.63 0.16 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.1 tt0 -61.67 -30.03 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -102.6 -20.96 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.0 ttt -65.55 -51.37 60.34 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.95 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.765 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 pttt -89.39 19.88 4.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.649 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -119.89 -34.72 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.289 -179.073 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -85.07 -22.52 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.587 -179.021 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 75.9 tt0 -70.05 -38.93 75.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -90.07 -38.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.9 t -65.0 -41.36 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.623 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 79.8 mm-40 -80.17 -4.99 55.27 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.011 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 58.0 t-20 -103.78 -13.23 16.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 110.679 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -90.87 -102.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -118.96 98.73 6.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 30' ' ' GLU . 67.8 mttm -61.03 -37.66 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.343 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.607 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 65.3 mtt180 -66.64 -20.01 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.468 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.8 83.71 52.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.71 153.7 59.38 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.894 2.396 . . . . 0.0 112.642 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.3 m-85 -83.11 -168.28 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -136.8 133.71 36.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.2 p-10 -22.18 -45.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.397 0.436 . . . . 0.0 111.054 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.586 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.5 tp60 -65.72 -50.45 64.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.49 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -63.78 -43.68 95.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.051 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.11 72.63 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.38 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.27 -51.55 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.636 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.0 mt -65.21 -39.78 86.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -60.91 -31.53 71.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -75.54 -12.29 60.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.68 -19.01 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.758 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.636 ' HE3' HG22 ' A' ' 46' ' ' ILE . 27.9 mmtt -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.884 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.78 23.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.69 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' VAL . 70.7 m-85 -98.71 -18.05 18.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.355 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 29.62 38.77 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.698 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.551 HG21 HD22 ' A' ' 21' ' ' LEU . 8.7 p -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.203 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.32 18.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O6 ' ' B' ' 105' ' ' ' DG' . 8.2 tmm_? -65.64 -24.21 66.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.387 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.745 ' HE ' ' N4 ' ' C' ' 123' ' ' ' DC' . 10.9 mmt180 -69.33 -36.33 76.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -80.86 -42.76 21.01 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.26 0.552 . . . . 0.0 110.269 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -65.83 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.094 -178.784 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.547 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.45 -37.85 83.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.522 . . . . 0.0 110.772 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.31 -36.14 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.806 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.61 -54.16 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.477 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -42.88 -27.42 0.18 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.487 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 79.7 tt0 -93.72 -22.52 18.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.738 ' HG2' HD12 ' A' ' 66' ' ' LEU . 7.8 ptm -76.01 -37.78 58.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.487 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.738 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mp -62.61 -71.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.35 -26.02 0.06 OUTLIER Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.453 -0.879 . . . . 0.0 111.225 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -69.16 115.98 37.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.029 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.564 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 65.8 Cg_exo -50.87 -52.54 8.86 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.472 2.115 . . . . 0.0 111.991 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.605 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.6 p -173.65 10.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.593 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m 65.4 -16.05 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 70' ' ' SER . 45.9 ttm-85 -71.37 -43.41 66.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.764 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 1.8 pp20? -78.32 -33.2 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.207 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.38 -41.39 96.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.607 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 3.3 ttt180 -65.2 -46.02 82.39 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.619 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.1 tp . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.52 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.523 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C1'-C2' 107.488 1.262 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.523 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 107.502 1.274 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.538 " O4'" ' NH2' ' A' ' 72' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.372 0 C1'-O4'-C4' 106.306 -2.425 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.509 ' OP1' ' NE ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.52 0 C4'-C3'-C2' 105.614 2.414 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.694 ' C6 ' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.472 0 O4'-C1'-C2' 108.326 2.023 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.578 ' C6 ' ' C4 ' ' B' ' 107' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.864 0 C4'-C3'-C2' 101.864 -1.336 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . 0.578 ' C4 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-C2' 107.788 1.534 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.162 0 O4'-C1'-C2' 108.008 1.734 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.528 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.613 1.981 0 C4'-C3'-C2' 101.313 -1.887 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.528 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 C4'-C3'-C2' 101.481 -1.719 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.468 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.505 0 O4'-C1'-C2' 108.237 1.942 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.493 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 C1'-O4'-C4' 107.297 -1.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.493 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.774 0 C4'-C3'-C2' 105.113 1.913 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 O4'-C1'-N19 106.007 -2.241 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C1'-C2' 107.9 1.637 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.582 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.922 0 O4'-C1'-C2' 107.867 1.606 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.624 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-C2' 107.855 1.595 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.624 ' N6 ' ' N6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.871 0 C4'-C3'-C2' 104.597 1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.51 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.262 0 O4'-C1'-C2' 108.124 1.84 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.534 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 107.848 2.248 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.894 2.294 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.632 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.706 0 O4'-C1'-N19 106.396 -1.755 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.745 ' N4 ' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.684 0 C4'-C3'-C2' 105.121 1.921 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.616 ' H42' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.265 0 O4'-C1'-C2' 107.727 1.479 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.11 0 O3'-P-O5' 101.24 -1.453 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.48 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.244 0 O3'-P-O5' 101.548 -1.29 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.48 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.87 0 C4'-C3'-C2' 105.12 1.92 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.466 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.17 0 O4'-C1'-N19 106.654 -1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' CE ' ' A' ' 53' ' ' LYS . 12.4 t60 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' HIS . 77.9 mtm 36.03 40.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt -71.37 174.89 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' OE2' ' A' ' 20' ' ' GLU . 60.1 p -68.14 -156.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.317 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -61.78 -29.47 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . -173.18 49.41 0.16 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.1 tt0 -60.81 -19.34 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.768 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.98 -21.9 9.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.777 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.2 ttp -63.75 -61.27 2.41 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.368 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.827 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -75.62 23.7 0.12 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.827 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -121.22 -45.78 2.33 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.2 pt -51.24 -51.56 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.728 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.13 -27.19 30.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.973 0.416 . . . . 0.0 111.553 -178.821 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 81.6 tt0 -71.28 -37.79 71.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.73 -36.53 9.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.356 0.41 . . . . 0.0 110.658 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.7 t -66.14 -41.6 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.27 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.12 -4.68 42.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.198 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -13.9 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.04 -105.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.002 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -115.63 99.96 7.71 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.59 -35.14 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.446 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -77.21 10.03 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.346 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -156.83 74.91 4.51 Favored Pre-proline 0 CA--C 1.521 -0.162 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.66 153.06 69.79 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 123.082 2.521 . . . . 0.0 112.827 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 21.1 m-85 -86.9 170.75 11.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 110.658 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 6.7 p -116.71 133.52 55.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 35.9 p-10 -24.38 -47.43 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 O-C-N 123.856 0.723 . . . . 0.0 110.822 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.3 tp60 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.8 mt-10 -62.53 -52.19 64.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.462 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.37 -38.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.711 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.79 72.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.181 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.91 -51.78 24.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -62.73 -39.54 85.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.249 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.01 -27.99 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -78.99 -10.86 59.95 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.481 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.11 -18.34 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.1 mmtt -90.3 -70.1 0.69 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 110.07 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 26.13 0.03 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.574 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 58.6 m-85 -103.74 -23.5 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CE ' ' CG ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 30.62 41.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.237 0.541 . . . . 0.0 110.676 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.2 p -86.69 159.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.414 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.62 160.17 14.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.558 . . . . 0.0 111.181 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.1 ttm180 -62.86 -24.58 67.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.45 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.1 m -82.65 -43.07 17.38 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.176 0.512 . . . . 0.0 110.542 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -32.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.775 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -73.62 -40.37 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.081 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -72.09 -34.57 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 65' ' ' MET . 2.7 m-30 -65.92 -56.39 12.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.581 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' CZ ' ' OP1' ' B' ' 104' ' ' ' DT' . 1.3 ptp85 -39.89 -31.71 0.13 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.015 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 83.7 tt0 -85.22 -27.71 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -74.58 -35.78 63.03 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.627 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -68.13 -70.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.22 -57.87 0.06 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.3 mt -50.21 133.59 23.88 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.685 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 -58.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.372 2.048 . . . . 0.0 111.975 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 72' ' ' ARG . 53.6 p -147.96 5.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.912 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.7 p 69.6 -20.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.672 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.9 ttp180 -75.6 -36.59 60.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.113 0.483 . . . . 0.0 110.152 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 15.2 mt-10 -64.75 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.816 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HE ' HG23 ' A' ' 68' ' ' ILE . 95.2 mtt-85 -62.95 -36.61 84.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.202 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -86.11 -73.16 0.46 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.586 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.6 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.518 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DT' . . . . . 0.485 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O4'-C1'-C2' 107.384 1.167 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.485 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.381 0 O4'-C1'-C2' 107.637 1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.236 0 C1'-O4'-C4' 107.304 -1.711 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.534 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.496 0 C4'-C3'-C2' 105.366 2.166 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.452 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.418 -2.548 0 O4'-C1'-C2' 107.99 1.718 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.963 0 O3'-P-O5' 102.067 -1.017 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 108.116 1.832 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.425 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-C2' 108.034 1.759 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DC' . . . . . 0.547 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.051 0 C4'-C3'-C2' 101.268 -1.932 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DG' . . . . . 0.547 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -1.982 0 C4'-C3'-C2' 101.491 -1.709 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.447 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 O4'-C1'-C2' 108.175 1.887 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.416 ' C6 ' ' H72' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.351 0 C1'-O4'-C4' 107.262 -1.742 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ' DT' . . . . . 0.416 ' H72' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 C4'-C3'-C2' 105.324 2.124 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 106.232 -1.96 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.771 0 O4'-C1'-C2' 107.646 1.406 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 0 O4'-C1'-C2' 108.054 1.776 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.638 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.295 0 O4'-C1'-N19 106.536 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.638 ' N6 ' ' N6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 C4'-C3'-C2' 104.768 1.568 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DC' . . . . . 0.511 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.43 0 O4'-C1'-C2' 108.144 1.858 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.568 1.968 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 108.118 2.518 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.457 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 106.423 -1.721 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DC' . . . . . 0.484 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.01 0 C4'-C3'-C2' 101.777 -1.423 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.484 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 O4'-C1'-C2' 107.765 1.514 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.171 0 O3'-P-O5' 101.095 -1.529 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . 0.562 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O3'-P-O5' 101.493 -1.319 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 127' ' ' ' DA' . . . . . 0.562 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C4'-C3' 108.427 2.827 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 128' ' ' ' DA' . . . . . 0.51 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.079 0 C1'-O4'-C4' 107.135 -1.832 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.722 HD12 HD23 ' A' ' 21' ' ' LEU . 18.5 mt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.084 0.468 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' OE2' ' A' ' 20' ' ' GLU . 30.9 p -76.35 -155.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.02 -28.15 69.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.349 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.08 48.03 0.15 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.339 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.6 tt0 -60.41 -17.97 47.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -116.18 -23.16 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.728 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.01 -59.24 5.08 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.631 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.798 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -76.67 23.59 0.16 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.096 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -119.04 -48.17 2.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.768 HD11 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -52.17 -54.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.535 -178.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.37 -26.73 30.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.654 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 41.4 tt0 -70.73 -37.57 73.48 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.588 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -88.97 -36.71 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.414 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.6 t -66.26 -41.51 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -74.96 -5.02 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.658 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.52 -0.02 17.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -104.07 -111.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -105.26 100.85 10.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -37.37 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -75.69 -6.9 52.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -137.99 82.93 24.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.18 153.42 56.83 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.694 2.263 . . . . 0.0 112.651 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 21.2 m-85 -87.25 178.38 6.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.2 p -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.929 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.0 p-10 -22.48 -47.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.64 0.587 . . . . 0.0 111.147 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 35.1 tp60 -65.31 -49.77 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.768 0.318 . . . . 0.0 111.598 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.638 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.4 mp0 -63.66 -48.55 76.75 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.419 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.449 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.01 -40.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.19 77.59 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.014 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -66.19 -50.6 63.32 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.665 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.9 mt -65.84 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.99 -30.19 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -76.7 -12.86 60.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -86.89 -19.11 29.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.996 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.601 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.5 mmtt -89.8 -68.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.42 28.61 0.02 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.276 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 54' ' ' VAL . 59.6 m-85 -108.24 -13.3 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 19.91 46.29 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.984 0.802 . . . . 0.0 110.96 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -93.0 139.94 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.695 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 152.93 38.45 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.93 -22.38 64.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.276 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -65.88 -39.84 91.05 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.079 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -82.02 -42.2 19.64 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.415 0.626 . . . . 0.0 110.464 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -61.54 -33.9 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.4 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.35 71.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.134 0.492 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.07 -37.24 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.641 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -67.02 -59.37 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.406 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' NH1' ' O ' ' A' ' 69' ' ' PRO . 10.5 ptt85 -43.24 -28.47 0.31 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.435 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -84.68 -30.61 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.1 ptm -73.95 -41.77 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -61.2 -54.79 39.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.144 0.497 . . . . 0.0 110.908 -179.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.576 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 151.88 34.35 0.03 OUTLIER Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.344 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 71' ' ' SER . 3.1 mp -129.6 130.23 23.23 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.596 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 56.9 Cg_endo -72.11 -44.68 0.81 Allowed 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.443 2.095 . . . . 0.0 112.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.573 ' C ' ' H ' ' A' ' 72' ' ' ARG . 16.6 p -171.98 13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.365 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.9 m 61.27 -7.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 70' ' ' SER . 73.4 ttt180 -86.32 -35.61 19.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.132 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.97 -39.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.877 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt180 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.733 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD12 HD23 ' A' ' 21' ' ' LEU . 13.5 mt . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.954 0.407 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 20' ' ' GLU . 79.2 p -68.57 -159.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.748 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -59.92 -30.87 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.486 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.57 48.54 0.2 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -61.87 -21.03 64.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.758 -0.26 . . . . 0.0 110.76 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -116.33 -20.77 9.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.17 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.717 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.8 ttp -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.912 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.666 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.1 pttp -75.77 16.75 0.36 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.194 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.9 mm? -111.4 -45.22 3.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.909 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.821 HD11 ' CD1' ' A' ' 66' ' ' LEU . 1.8 pt -52.29 -51.59 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.658 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -81.71 -29.12 33.1 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.621 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 81.4 tt0 -72.21 -36.81 69.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.85 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -85.72 -38.5 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.011 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.2 t -65.35 -42.35 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.23 -5.36 41.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.265 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.94 -12.65 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -96.12 -106.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -114.47 100.22 8.14 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.145 0.498 . . . . 0.0 110.089 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.5 -38.35 89.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.803 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.03 7.88 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -157.43 77.86 3.74 Favored Pre-proline 0 CA--C 1.519 -0.247 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.88 151.41 85.33 Favored 'Trans proline' 0 C--N 1.3 -2.016 0 C-N-CA 122.967 2.445 . . . . 0.0 112.468 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 16.1 m-85 -80.53 -176.6 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.998 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' N ' ' A' ' 42' ' ' GLU . 4.4 p -128.45 135.71 49.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' SER . 31.4 p-10 -25.72 -49.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.539 0.524 . . . . 0.0 111.369 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 32.8 tp60 -62.31 -46.8 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.431 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.9 mt-10 -67.03 -49.26 65.79 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.974 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.51 -41.27 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 109.642 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.63 80.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.79 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.89 -49.18 68.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.235 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -66.41 -39.94 85.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.208 0.528 . . . . 0.0 109.909 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.73 -31.93 71.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -75.72 -12.06 60.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.589 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.99 -19.09 27.68 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.798 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -87.77 -68.84 0.73 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.44 0.638 . . . . 0.0 110.259 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.27 29.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.16 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 71.5 m-85 -105.81 -16.61 14.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER 29.3 40.23 0.0 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.652 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.1 p -88.36 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.874 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.528 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.16 163.38 12.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -62.77 -25.1 68.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.746 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.418 HH21 ' HB1' ' A' ' 55' ' ' ALA . 9.4 mtm180 -66.4 -40.38 89.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.615 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -81.49 -42.99 19.44 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.605 0.717 . . . . 0.0 110.309 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -34.4 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.72 -177.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . . . -71.78 -33.73 68.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.555 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -83.87 -15.46 48.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.197 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD1' HD11 ' A' ' 21' ' ' LEU . 2.5 m-85 -87.51 -45.07 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.585 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.51 HH21 ' HB3' ' A' ' 40' ' ' ASP . 18.5 ptt85 -62.12 -24.16 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.339 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -83.5 -27.1 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.91 -31.19 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.712 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.7 -70.56 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 179.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.2 33.01 0.03 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.476 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.468 HG12 HH11 ' A' ' 74' ' ' ARG . 2.4 mt -137.46 125.29 14.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.663 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.19 -34.76 15.72 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.067 1.845 . . . . 0.0 111.781 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 71' ' ' SER . 26.4 p -173.03 -2.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.666 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' SER . 0.8 OUTLIER 77.8 -29.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.558 0.218 . . . . 0.0 110.689 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.5 ttt-85 -69.07 -38.34 79.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.294 0.569 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.04 -38.74 91.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.973 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.468 HH11 HG12 ' A' ' 68' ' ' ILE . 83.6 mtp180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.472 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.756 HD12 HD23 ' A' ' 21' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.042 0.448 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.689 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.8 p -73.07 -160.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.609 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.5 -32.22 57.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.318 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.34 52.14 0.17 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.476 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.689 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.2 tt0 -62.54 -19.21 63.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.581 0.229 . . . . 0.0 110.964 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD12 ' A' ' 16' ' ' LEU . 1.8 pp -113.27 -21.22 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.6 ttp -65.03 -63.73 1.04 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.68 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.708 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.56 18.01 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.237 -178.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.02 -46.13 3.13 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.823 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.876 HD11 HD13 ' A' ' 66' ' ' LEU . 2.1 pt -49.7 -51.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.329 -0.549 . . . . 0.0 111.707 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' H ' HG13 ' A' ' 25' ' ' ILE . 1.6 pttp -82.84 -30.05 28.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 111.788 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 82.4 tt0 -70.42 -36.55 74.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.458 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.1 -38.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.6 t -66.5 -33.04 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.623 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -85.66 -5.98 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.637 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.95 -11.48 18.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -94.88 -107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -115.86 100.68 8.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.468 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.85 -38.45 88.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.318 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -68.0 -19.13 64.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -133.26 83.99 48.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.36 162.07 41.16 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.975 2.45 . . . . 0.0 112.655 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 19.8 m-85 -89.95 -160.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.713 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 p -145.34 131.89 19.83 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.6 p-10 -22.29 -47.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.905 0.384 . . . . 0.0 111.37 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.573 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 36.7 tp60 -64.65 -50.55 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.395 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 39' ' ' SER . 71.1 mm-40 -63.18 -43.87 97.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.5 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.44 -41.18 89.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.7 79.02 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.695 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.75 -51.78 45.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.231 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.607 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.6 mt -64.22 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.023 0.439 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -62.23 -30.99 71.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.796 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -76.12 -11.89 60.01 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.356 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -87.74 -18.7 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.996 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.2 mmtt -90.13 -69.34 0.73 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.332 0.586 . . . . 0.0 110.098 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.74 26.39 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.628 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 54' ' ' VAL . 72.0 m-85 -104.53 -13.3 16.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.107 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' PHE . 4.0 ptmt 28.12 37.75 0.0 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.56 155.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.78 162.94 13.35 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.743 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.546 ' NE ' ' OD1' ' A' ' 40' ' ' ASP . 3.3 ttt180 -61.13 -23.89 65.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.193 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.409 HH21 ' HB1' ' A' ' 55' ' ' ALA . 21.0 mtm-85 -63.95 -39.72 94.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.561 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -85.87 -43.06 13.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.293 0.568 . . . . 0.0 111.014 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -33.5 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.539 -178.091 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -34.22 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.43 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -81.09 -20.52 41.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.142 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -85.17 -39.59 17.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.459 HH11 ' HA ' ' A' ' 70' ' ' SER . 8.4 ptp180 -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -94.53 -21.07 19.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 ptm -82.56 -35.22 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.975 0.417 . . . . 0.0 110.389 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.79 -74.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.76 36.08 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.465 ' CG1' HH11 ' A' ' 74' ' ' ARG . 3.9 mp -125.4 106.7 27.31 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.974 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.54 -47.4 27.31 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.475 2.117 . . . . 0.0 111.738 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 72' ' ' ARG . 55.2 p -170.11 15.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.73 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 t 60.37 -9.29 0.06 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.225 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 70' ' ' SER . 72.1 ttt180 -87.87 -37.08 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.061 0.457 . . . . 0.0 110.255 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.08 -36.94 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.163 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.465 HH11 ' CG1' ' A' ' 68' ' ' ILE . 84.0 mtp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.528 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 21' ' ' LEU . 14.8 mt . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.913 0.387 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' OE1' ' A' ' 20' ' ' GLU . 59.1 p -70.81 -159.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -60.21 -30.49 69.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.51 49.08 0.21 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.618 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.7 tt0 -62.48 -15.92 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.292 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -120.46 -21.63 6.75 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.06 0.457 . . . . 0.0 111.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.92 -52.81 58.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.949 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.672 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -80.65 15.69 1.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.914 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.6 mm? -109.19 -48.87 3.2 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.84 ' O ' HG22 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -50.06 -54.85 6.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.559 0.695 . . . . 0.0 111.648 -178.128 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -31.47 63.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.266 0.555 . . . . 0.0 111.207 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 79.4 tt0 -75.68 -41.81 52.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.271 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -69.4 -41.04 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 25' ' ' ILE . 27.5 m -70.65 -38.62 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.077 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.36 2.39 4.93 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.06 -15.4 11.15 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.525 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.46 -110.94 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.87 0.367 . . . . 0.0 111.268 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -111.92 101.8 10.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.17 -39.05 91.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.316 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.12 -32.14 72.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -128.99 81.63 70.46 Favored Pre-proline 0 C--N 1.312 -1.023 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.414 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.06 163.87 37.06 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.394 2.063 . . . . 0.0 112.609 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 29' ' ' VAL . 35.8 m-85 -86.92 172.86 9.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.1 p -119.16 137.98 53.24 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.642 ' CA ' HH21 ' A' ' 63' ' ' ARG . 18.7 p-10 -20.4 -48.74 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 124.042 0.839 . . . . 0.0 111.0 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 39' ' ' SER . 2.9 tm0? -60.07 -67.69 0.36 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.134 0.493 . . . . 0.0 110.143 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 96.5 mt-10 -46.72 -49.65 19.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.668 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.49 -39.11 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.4 75.79 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -70.8 -50.74 32.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.717 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.6 HG22 ' CE ' ' A' ' 50' ' ' LYS . 3.8 mt -65.55 -37.93 81.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.85 -24.24 65.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.761 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -84.77 -8.86 58.66 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.35 -8.65 44.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.103 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.6 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.4 mttt -105.48 -63.06 1.28 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.395 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.68 46.36 0.03 OUTLIER Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.502 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -127.74 -14.86 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.578 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.3 OUTLIER 21.73 44.77 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 O-C-N 124.031 0.832 . . . . 0.0 111.357 179.361 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.3 p -94.47 138.74 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.728 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.85 157.94 28.24 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.81 -22.77 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.28 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 65.4 mtt85 -62.95 -40.18 96.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.059 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -85.91 -40.65 15.68 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.113 0.482 . . . . 0.0 110.558 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -60.5 -30.75 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.084 -178.472 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.29 44.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.91 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 60.7 mmtt -89.57 -17.9 27.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.292 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-30 -90.44 -33.96 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.342 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.642 HH21 ' CA ' ' A' ' 40' ' ' ASP . 8.8 ptp180 -57.85 -29.42 64.96 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.407 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 82.8 tt0 -93.78 -20.79 19.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.408 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.409 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 5.6 ptm -75.18 -37.98 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.966 0.413 . . . . 0.0 110.349 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -70.44 -72.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.748 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.62 36.45 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.275 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -133.31 132.47 22.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.75 -56.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.033 1.822 . . . . 0.0 111.617 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 72' ' ' ARG . 82.0 p -147.33 3.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.245 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 68' ' ' ILE . 0.7 OUTLIER 70.25 -14.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.1 ttt-85 -88.27 -32.38 18.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.53 -39.29 81.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.655 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.472 HH11 HG12 ' A' ' 68' ' ' ILE . 83.3 mtp180 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.229 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 21' ' ' LEU . 15.8 mt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.779 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.0 p -69.67 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.39 -30.91 65.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.9 51.85 0.15 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.779 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -62.41 -22.95 66.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.763 0.316 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -108.65 -21.91 12.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.94 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.3 ttp -65.84 -61.19 2.2 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.951 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.743 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -76.82 20.98 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.079 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.2 mm? -118.68 -39.79 2.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.8 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.872 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.3 pt -57.77 -46.63 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.184 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -83.34 -25.43 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 111.765 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -70.36 -39.12 74.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.396 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.81 -38.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.279 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.9 t -63.35 -41.77 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.54 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -77.26 2.61 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.771 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.06 -5.78 10.49 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.422 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -95.66 -109.64 0.14 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.26 102.85 11.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.224 0.535 . . . . 0.0 110.504 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.34 -38.17 88.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.564 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -77.02 -7.51 55.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -137.52 82.87 26.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.401 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.87 152.01 51.72 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.614 2.209 . . . . 0.0 112.226 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.6 m-85 -81.04 -163.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.919 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' GLU . 23.6 p -147.04 136.48 22.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' HA ' HD11 ' A' ' 43' ' ' ILE . 35.8 p-10 -25.37 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 O-C-N 123.385 0.428 . . . . 0.0 111.441 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 29.4 tp60 -64.4 -48.82 73.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.31 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' SER . 72.0 mm-40 -61.65 -56.1 23.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.401 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 40' ' ' ASP . 30.1 pt -56.1 -35.51 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.07 84.91 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.637 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.0 t-20 -67.7 -50.0 59.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.871 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.8 mt -64.29 -39.42 85.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.118 0.485 . . . . 0.0 110.355 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.6 mp -61.07 -24.06 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.839 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -84.19 -9.87 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.221 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -91.25 -10.81 40.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.1 mttt -102.56 -66.21 0.94 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.751 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.79 39.88 0.03 OUTLIER Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.526 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' VAL . 69.9 m-85 -120.82 -14.66 8.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.508 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 23.97 41.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.931 0.77 . . . . 0.0 110.921 179.006 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.4 p -91.01 140.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.676 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.63 159.05 21.66 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.42 -24.07 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -66.77 -38.35 86.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.0 m -82.22 -42.18 19.29 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.28 0.562 . . . . 0.0 110.513 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.39 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.205 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.3 84.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.575 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.45 -14.41 62.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.56 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.8 m-30 -93.25 -43.51 8.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.235 0.541 . . . . 0.0 110.85 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.514 HH12 HG21 ' A' ' 29' ' ' VAL . 13.6 mmm180 -59.87 -7.87 1.91 Allowed 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.228 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.51 9.71 12.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -119.09 -34.68 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.872 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -62.95 -78.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.776 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.23 -51.52 0.02 OUTLIER Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.291 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 71' ' ' SER . 3.4 mt -61.42 134.48 93.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.557 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.96 -56.95 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.181 1.92 . . . . 0.0 111.996 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 72' ' ' ARG . 35.0 p -152.74 11.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.026 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 68' ' ' ILE . 18.8 t 63.12 -7.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.541 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.4 ttt85 -88.22 -34.87 17.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.08 -41.63 81.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.426 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.048 0.451 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -70.08 -155.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -59.99 -29.54 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.06 50.12 0.13 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.0 tt0 -60.52 -18.97 55.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.644 0.259 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -112.64 -22.88 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.731 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.8 ttp -64.26 -57.95 7.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.72 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttt -77.8 18.45 0.47 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -115.06 -43.94 3.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.074 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.887 HD11 HD13 ' A' ' 66' ' ' LEU . 2.6 pt -52.33 -50.11 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.603 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -82.55 -27.37 31.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.994 0.426 . . . . 0.0 111.763 -179.002 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.2 -38.76 75.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.91 -38.01 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.32 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.6 t -64.21 -42.44 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 81.1 mm-40 -74.5 -7.52 53.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.169 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.76 -12.16 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.96 -108.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.129 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -115.31 99.14 7.18 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.304 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.58 -37.19 85.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.127 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.3 4.07 2.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.404 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -155.78 77.48 4.62 Favored Pre-proline 0 CA--C 1.519 -0.223 0 CA-C-O 121.134 0.492 . . . . 0.0 109.833 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.38 153.46 70.45 Favored 'Trans proline' 0 C--N 1.296 -2.216 0 C-N-CA 123.205 2.603 . . . . 0.0 113.127 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 33.8 m-85 -86.15 169.32 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.283 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.592 ' O ' ' N ' ' A' ' 42' ' ' GLU . 80.3 p -118.19 137.52 52.94 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 40.5 p-10 -25.3 -47.61 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 O-C-N 123.613 0.571 . . . . 0.0 111.099 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 24.7 tp60 -63.75 -49.68 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.643 0.258 . . . . 0.0 111.57 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 39' ' ' SER . 98.4 mt-10 -64.34 -50.9 65.95 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.541 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.67 -39.85 72.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.764 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.69 81.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.968 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -67.84 -50.41 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.396 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 5.0 mt -64.47 -41.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.27 0.557 . . . . 0.0 110.15 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -59.15 -21.49 59.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -83.14 -12.5 56.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.407 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -90.63 -14.52 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 34.7 mmtt -94.15 -68.44 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 110.126 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.32 45.67 0.03 OUTLIER Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 54' ' ' VAL . 57.3 m-85 -128.57 -13.8 4.76 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 19.57 46.83 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 O-C-N 123.922 0.764 . . . . 0.0 111.523 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.6 ' N ' ' O ' ' A' ' 52' ' ' PHE . 2.1 p -90.55 152.68 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.983 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -93.41 161.01 14.55 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.886 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 25.4 ttm180 -63.08 -24.96 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.457 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.738 ' N ' ' HE ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -66.04 -37.65 86.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -84.43 -42.11 15.97 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.324 0.583 . . . . 0.0 110.308 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -33.01 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.528 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.1 57.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.32 -13.6 27.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.73 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -90.69 -44.96 9.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 68' ' ' ILE . 0.8 OUTLIER -61.41 -25.23 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.577 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -87.73 -20.86 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ptm -89.67 -30.46 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.887 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -68.1 -72.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.611 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.76 37.59 0.04 OUTLIER Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -144.81 128.45 8.69 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.06 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.51 -51.3 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.013 1.809 . . . . 0.0 111.566 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' ' 72' ' ' ARG . 45.9 p -156.96 6.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.004 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.472 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.9 OUTLIER 69.91 -26.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.742 -179.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' A' ' 70' ' ' SER . 53.0 ttt85 -69.35 -38.33 78.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.233 0.54 . . . . 0.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.928 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.459 HH11 HG12 ' A' ' 68' ' ' ILE . 84.5 mtp180 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 21' ' ' LEU . 31.8 mt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.03 0.443 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -76.41 -154.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.454 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.39 -27.33 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.97 49.98 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.346 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.6 tt0 -56.67 -19.7 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -110.24 -23.38 11.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.653 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -66.61 -48.95 67.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.57 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.787 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.0 pttm -90.37 20.67 4.32 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -123.24 -33.3 3.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.681 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -57.15 -47.77 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.603 -178.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -84.1 -23.11 30.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.255 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.47 -37.82 71.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.549 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp -89.65 -38.91 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.155 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 25' ' ' ILE . 70.6 t -63.85 -41.82 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.403 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CD ' ' HE ' ' A' ' 74' ' ' ARG . 79.9 mm-40 -79.21 -4.38 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.861 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -107.59 -10.42 15.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -92.3 -104.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -113.58 101.78 9.66 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.0 -37.93 86.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.489 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -73.86 -5.31 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.346 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -139.19 83.44 17.81 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.668 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.48 151.54 59.27 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.659 2.24 . . . . 0.0 112.295 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HD1' HG13 ' A' ' 29' ' ' VAL . 76.2 m-85 -91.16 167.2 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 41' ' ' GLN . 95.2 p -120.13 139.91 51.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.1 p-10 -23.05 -47.0 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 124.096 0.872 . . . . 0.0 110.925 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.557 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.4 tm0? -62.46 -66.65 0.51 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.222 0.534 . . . . 0.0 110.394 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 98.8 mt-10 -45.54 -54.64 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.372 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -55.89 -38.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.145 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.21 73.59 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.297 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.87 -50.49 28.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.553 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -64.74 -38.49 82.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -61.7 -33.2 73.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.794 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -74.63 -10.22 59.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.316 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -90.09 -18.42 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -90.59 -70.04 0.7 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.31 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 28.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.293 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' N ' ' A' ' 54' ' ' VAL . 67.8 m-85 -106.42 -19.07 13.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.21 38.4 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.692 0.758 . . . . 0.0 110.319 178.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.0 p -89.22 145.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.962 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.76 161.17 20.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -63.54 -24.62 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.769 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.88 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 54' ' ' VAL . 1.5 m -80.82 -44.61 18.21 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.534 0.683 . . . . 0.0 110.303 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -30.04 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.761 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.64 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.453 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.44 -37.74 80.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.6 m-30 -66.87 -52.37 44.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.797 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.663 HH21 ' CA ' ' A' ' 70' ' ' SER . 10.6 ptm85 -55.9 -5.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.537 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' OE1' ' O ' ' A' ' 69' ' ' PRO . 37.0 mm-40 -115.23 -1.71 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.099 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.678 ' HG2' HD12 ' A' ' 66' ' ' LEU . 10.4 ptm -102.97 -36.2 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 65' ' ' MET . 5.4 mp -57.48 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.62 30.89 0.03 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.063 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -124.68 125.51 25.5 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.422 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' O ' ' OE1' ' A' ' 64' ' ' GLU . 76.9 Cg_exo -49.37 -44.63 33.63 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.243 1.962 . . . . 0.0 111.421 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.671 ' C ' ' H ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 163.42 32.56 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 111.912 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.447 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 9.4 t 57.7 -14.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.443 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 70' ' ' SER . 70.4 ttp85 -70.72 -42.92 69.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.381 0.61 . . . . 0.0 109.637 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -76.64 -36.29 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.093 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HE ' ' CD ' ' A' ' 30' ' ' GLU . 77.3 mtp85 . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.776 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 21' ' ' LEU . 16.6 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.8 p -65.04 -161.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.579 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.72 -30.67 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.58 53.68 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.819 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -63.34 -31.14 72.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -101.3 -21.42 14.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.701 ' HG3' HD11 ' A' ' 66' ' ' LEU . 4.2 ttp -65.71 -50.47 64.75 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -91.37 18.77 6.73 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.837 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 20' ' ' GLU . 4.2 mm? -119.16 -33.84 4.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -54.13 -48.11 65.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.64 -178.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.671 ' H ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -81.23 -22.59 38.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.855 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 38.9 tt0 -68.82 -40.54 79.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.599 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -90.5 -38.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.8 t -63.73 -38.21 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.316 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB3' ' HZ1' ' A' ' 34' ' ' LYS . 80.7 mm-40 -81.72 -5.71 58.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.75 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.81 -14.0 16.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.378 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.53 -105.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -118.22 100.16 7.33 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HZ1' ' HB3' ' A' ' 30' ' ' GLU . 67.2 mttm -61.77 -38.65 88.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.542 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.82 -32.07 72.35 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.462 0.648 . . . . 0.0 110.979 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -122.36 81.2 45.83 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.077 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.31 158.43 54.48 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.686 2.257 . . . . 0.0 112.782 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -90.03 169.75 10.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.589 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' GLN . 10.4 p -117.23 137.79 52.14 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.924 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 p-10 -18.77 -48.36 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.063 0.852 . . . . 0.0 111.265 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 tm0? -63.16 -67.23 0.44 Allowed 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.185 0.517 . . . . 0.0 110.198 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 99.2 mt-10 -44.82 -48.69 11.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.281 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.33 -38.8 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.6 76.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.417 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -70.89 -50.7 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.863 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.0 mt -64.23 -37.71 80.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.34 -25.16 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -82.93 -8.96 59.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.468 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -92.31 -13.09 30.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.113 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.0 mttt -98.56 -61.26 1.4 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.613 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.54 32.64 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.794 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 53' ' ' LYS . 66.3 m-85 -112.09 -21.02 11.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.377 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.39 42.21 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.751 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.0 p -88.81 153.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.761 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -91.57 156.25 17.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.2 tmm_? -61.68 -24.93 67.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -36.39 81.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -83.03 -43.25 16.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.308 0.575 . . . . 0.0 110.491 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -64.72 -32.58 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.871 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.56 -39.35 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.267 0.556 . . . . 0.0 110.857 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.89 -37.33 70.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.003 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.49 -50.47 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.353 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -48.67 -19.26 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.332 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 1.5 tm-20 -101.98 -22.14 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.66 ' HG2' HD12 ' A' ' 66' ' ' LEU . 8.9 ptm -75.29 -39.3 59.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -62.32 -65.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.971 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 33.95 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG23 ' CD ' ' A' ' 74' ' ' ARG . 1.7 mp -121.78 119.62 28.96 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.234 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.594 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 69.4 Cg_exo -48.52 -63.9 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.673 2.249 . . . . 0.0 111.972 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 71' ' ' SER . 77.9 p -154.05 2.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.719 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 70' ' ' SER . 2.7 p 83.36 -23.71 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.443 ' CG ' ' OG ' ' A' ' 70' ' ' SER . 15.5 ptt180 -87.58 -28.82 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.944 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.33 -36.4 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.286 0.565 . . . . 0.0 110.641 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' CD ' HG23 ' A' ' 68' ' ' ILE . 78.5 mtp85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.729 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 21' ' ' LEU . 16.9 mt . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.728 HG23 ' OE2' ' A' ' 20' ' ' GLU . 66.9 p -74.88 -155.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -61.64 -26.91 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.97 49.88 0.12 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.728 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.0 tt0 -62.15 -17.23 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -115.92 -22.47 9.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 66' ' ' LEU . 1.7 ttp -63.85 -60.55 3.14 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.682 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.7 pttt -74.14 16.28 0.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -110.43 -50.27 2.98 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.999 HD11 HD13 ' A' ' 66' ' ' LEU . 1.4 pt -41.1 -54.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.726 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 4.4 ptpt -78.26 -33.47 49.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.243 0.545 . . . . 0.0 111.637 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -70.18 -39.41 75.26 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.85 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -82.06 -35.27 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 123.295 0.372 . . . . 0.0 110.539 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 25' ' ' ILE . 56.4 t -71.26 -30.97 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-O 120.723 0.296 . . . . 0.0 110.404 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.89 -4.94 58.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -103.12 -17.09 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -88.97 -106.44 0.08 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -118.72 98.41 6.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -61.27 -37.43 83.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -66.85 -3.83 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.718 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -157.64 80.53 3.24 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.113 0.482 . . . . 0.0 109.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.19 -172.72 0.14 Allowed 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.032 2.488 . . . . 0.0 112.6 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.9 m-85 -115.66 -170.56 1.8 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.409 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -133.34 135.23 44.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 2.8 p30 -21.33 -48.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 123.637 0.586 . . . . 0.0 111.258 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.9 tp60 -62.96 -53.26 56.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.404 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.7 mm-40 -61.33 -44.22 97.57 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.434 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.11 -40.82 84.5 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.718 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.0 -33.33 75.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.161 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -69.15 -52.78 24.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.568 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -63.39 -39.26 84.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.5 -29.69 70.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -77.23 -10.59 59.51 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.819 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.92 -18.48 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.668 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.6 mmtt -90.78 -69.47 0.73 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.165 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.15 31.0 0.03 OUTLIER Glycine 0 N--CA 1.465 0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.307 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 54' ' ' VAL . 62.9 m-85 -109.49 -17.09 13.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.651 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 29.28 36.1 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.849 0.833 . . . . 0.0 110.621 179.085 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.4 p -86.54 149.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.556 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.49 163.23 13.13 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 111.117 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.587 ' NH2' ' OD1' ' A' ' 40' ' ' ASP . 37.6 ttt-85 -62.83 -24.51 67.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.461 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -63.98 -38.95 92.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.062 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -84.98 -44.61 12.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 121.105 0.478 . . . . 0.0 110.778 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -28.44 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.046 -178.348 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.59 49.44 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.981 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -89.04 -21.13 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.4 m-30 -76.79 -34.74 57.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 68' ' ' ILE . 12.5 ptp180 -67.59 -8.51 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.64 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -96.88 -23.01 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -89.37 -23.74 22.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.999 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -82.23 -72.99 0.41 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 162.17 43.87 0.02 OUTLIER Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.5 mp -136.54 122.5 13.53 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.93 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.36 -55.83 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.343 2.028 . . . . 0.0 112.114 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 72' ' ' ARG . 41.6 p -154.77 8.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.091 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.26 -23.11 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' A' ' 70' ' ' SER . 76.8 ttt180 -70.81 -38.89 73.31 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.208 0.528 . . . . 0.0 110.112 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.74 -35.66 81.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.79 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 92.4 mtt-85 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 HD23 ' A' ' 21' ' ' LEU . 25.7 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.041 0.448 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.558 HG23 ' OE2' ' A' ' 20' ' ' GLU . 58.4 p -71.03 -155.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.579 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.43 -27.51 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.419 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.36 50.32 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.553 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.3 tt0 -60.05 -21.07 60.95 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.74 0.305 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 16' ' ' LEU . 1.3 pp -108.46 -21.36 12.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.689 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttp -67.29 -57.27 6.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.736 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.3 pttp -79.21 17.57 0.78 Allowed 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -117.56 -40.86 3.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -53.56 -50.21 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.192 -178.385 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.35 -26.99 30.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.906 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -70.65 -38.86 73.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -86.32 -38.54 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.6 t -64.86 -34.83 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -83.64 -6.93 59.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.98 -10.31 18.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -92.81 -107.72 0.11 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -115.52 101.03 8.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.473 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.747 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -65.64 -22.8 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.454 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.18 81.38 70.58 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.338 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.47 155.74 62.94 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.85 2.367 . . . . 0.0 112.917 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.8 m-85 -86.76 -160.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.658 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 10.9 p -151.98 139.04 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.033 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.598 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.6 p30 -21.87 -54.57 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 O-C-N 123.943 0.777 . . . . 0.0 111.26 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.2 tm0? -60.55 -67.3 0.41 Allowed 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 121.115 0.484 . . . . 0.0 109.9 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 95.0 mt-10 -39.94 -60.94 0.93 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.378 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 40' ' ' ASP . 34.6 pt -53.9 -35.79 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -64.86 -35.13 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -70.94 -49.8 41.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.994 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.605 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.2 mt -64.17 -39.49 85.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.228 0.537 . . . . 0.0 110.262 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -60.55 -27.58 67.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.861 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -77.79 -13.48 59.88 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.04 -18.73 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -88.82 -69.65 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.347 0.594 . . . . 0.0 110.082 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 25.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' LYS . 63.9 m-85 -103.17 -23.72 13.62 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.014 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 30.98 43.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.701 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.76 144.44 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.15 158.43 26.33 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -64.4 -21.38 66.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.562 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -66.99 -40.11 87.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.263 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -81.82 -42.69 19.31 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-O 121.271 0.558 . . . . 0.0 110.361 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.54 -33.95 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.684 -178.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.78 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.41 -37.77 77.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.422 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -66.39 -63.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.5 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.626 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -46.22 -26.66 0.83 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.073 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 84.1 tt0 -87.15 -21.04 26.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -87.97 -36.71 16.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.689 HD21 ' HG3' ' A' ' 22' ' ' MET . 2.0 mp -63.29 -74.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.581 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 167.41 41.79 0.02 OUTLIER Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.315 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.17 108.05 11.41 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.464 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 51.6 Cg_exo -51.9 -49.47 17.2 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.563 2.175 . . . . 0.0 111.887 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 72' ' ' ARG . 23.8 p -169.04 15.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.385 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t 57.79 -4.84 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.607 ' H ' ' C ' ' A' ' 70' ' ' SER . 74.7 ttt180 -88.16 -35.69 17.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 110.413 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.52 -39.61 81.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.789 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 96.1 mtt180 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.667 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD12 HD23 ' A' ' 21' ' ' LEU . 22.4 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.971 0.415 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.3 p -71.15 -155.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.675 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.52 -27.53 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.21 48.82 0.13 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 tt0 -58.61 -23.54 59.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -106.47 -23.69 12.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.3 ttp -64.69 -52.58 56.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.74 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.9 pttt -85.05 19.81 2.06 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.022 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -119.68 -36.4 3.33 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.85 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.873 HD11 HD13 ' A' ' 66' ' ' LEU . 4.3 pt -59.96 -44.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.779 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -83.37 -20.81 33.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.982 0.42 . . . . 0.0 111.277 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.93 -41.15 78.51 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.423 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.32 -40.1 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 25' ' ' ILE . 89.0 t -62.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 46.5 mm-40 -77.39 3.85 12.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.351 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.56 0.19 3.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.578 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -91.26 -107.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 0.0 111.152 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -121.23 102.02 8.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.286 0.565 . . . . 0.0 110.721 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -59.96 -37.0 78.31 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.961 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -65.43 -33.9 77.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.56 79.83 54.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.324 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.23 167.96 24.71 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.737 2.291 . . . . 0.0 112.784 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -102.76 160.14 14.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 t -119.17 142.71 47.72 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.03 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 34.2 p-10 -21.49 -48.87 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.175 0.922 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.56 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 2.1 tm0? -60.34 -68.01 0.34 Allowed 'General case' 0 N--CA 1.436 -1.154 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 97.2 mt-10 -46.26 -54.85 8.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.498 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.26 -39.26 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.39 72.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.487 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.78 -50.18 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.693 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 50' ' ' LYS . 3.2 mt -66.79 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.106 0.479 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.4 mp -60.46 -30.86 69.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.677 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -79.33 -7.89 58.67 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.95 -11.89 34.91 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.96 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 46' ' ' ILE . 7.2 mttt -100.36 -62.15 1.28 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.496 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.78 31.08 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.372 -0.918 . . . . 0.0 111.688 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -108.74 -23.15 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.147 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.72 42.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.835 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.3 p -89.84 154.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -89.42 156.64 18.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.925 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' HH11 ' A' ' 57' ' ' ARG . 30.6 ttm180 -61.87 -25.49 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.697 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 11.0 mpt_? -66.31 -37.94 86.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.157 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -82.8 -41.7 18.8 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.327 0.584 . . . . 0.0 110.431 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.55 -33.15 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.544 -178.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.24 -42.7 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.908 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.82 -37.95 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -65.28 -56.19 14.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.235 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -48.68 -28.24 3.42 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.227 -179.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -85.84 -18.72 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.965 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' TYR . 5.9 ptm -91.29 -29.62 17.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.439 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.873 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.75 -76.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.34 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.44 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.486 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mt -51.36 132.7 33.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.774 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.606 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.6 Cg_endo -71.63 -63.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.139 1.893 . . . . 0.0 111.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 72' ' ' ARG . 51.8 p -142.9 5.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m 69.75 -13.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttp180 -85.5 -34.07 21.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.168 0.509 . . . . 0.0 110.333 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.2 mt-10 -65.79 -41.06 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.972 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.594 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 50.8 mtm180 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.661 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 21' ' ' LEU . 28.8 mt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.086 0.469 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 ' OE1' ' A' ' 20' ' ' GLU . 49.8 p -75.46 -152.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.598 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.13 -30.07 67.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.7 47.99 0.11 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.616 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.8 tt0 -56.32 -17.23 7.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.775 0.321 . . . . 0.0 110.507 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -112.47 -25.19 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.012 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.811 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.02 -48.35 76.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.617 -179.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.684 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -85.92 14.53 5.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.366 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.18 -37.25 4.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.946 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 66' ' ' LEU . 2.3 pt -56.44 -48.03 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.972 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.0 ptpt -79.74 -31.77 41.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.12 0.486 . . . . 0.0 111.585 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -70.45 -38.89 74.57 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.825 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -83.87 -37.67 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.176 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.8 t -66.46 -34.76 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.457 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.55 -5.02 59.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.856 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.01 -12.18 16.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.198 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -96.3 -108.52 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -113.53 99.29 7.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.93 -37.25 86.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.421 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -1.65 11.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.705 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -150.25 76.31 8.57 Favored Pre-proline 0 CA--C 1.518 -0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 109.84 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.16 154.38 67.96 Favored 'Trans proline' 0 C--N 1.295 -2.258 0 C-N-CA 123.015 2.476 . . . . 0.0 112.729 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.475 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.6 m-85 -87.87 -177.11 5.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.154 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.3 t -131.97 140.67 49.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.682 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 41.0 p-10 -22.22 -48.24 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.104 0 O-C-N 123.894 0.747 . . . . 0.0 111.424 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.1 tp60 -62.42 -52.96 61.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.782 0.325 . . . . 0.0 111.648 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 42' ' ' GLU . 43.9 mp0 -63.35 -49.48 73.71 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.556 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.97 -41.52 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.47 75.86 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.026 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.14 -51.86 41.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.915 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.61 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.5 mt -64.32 -38.91 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.4 mp -61.27 -32.38 72.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.025 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -75.01 -10.89 59.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.496 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.54 -18.04 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.61 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.3 mmtt -91.41 -68.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.188 0.518 . . . . 0.0 110.131 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.34 29.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.47 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' VAL . 71.8 m-85 -106.74 -16.12 14.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.14 36.88 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.555 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 52' ' ' PHE . 12.4 p -88.83 141.53 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.93 163.96 16.09 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.919 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.554 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.5 ttm180 -64.21 -21.42 66.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.607 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.8 mmt-85 -67.61 -40.47 84.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.074 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -81.82 -43.63 18.02 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.397 0.618 . . . . 0.0 110.441 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.449 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -64.57 -32.04 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.034 -178.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -73.07 -21.07 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.097 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -97.22 -4.89 38.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -93.86 -55.45 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.591 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -42.83 -32.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.998 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -85.21 -24.43 27.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.1 ptm -75.69 -38.41 58.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.5 OUTLIER -68.07 -72.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.31 32.81 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -132.98 133.19 22.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.575 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 55.6 Cg_endo -72.15 -61.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.189 1.926 . . . . 0.0 111.761 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.7 p -147.95 5.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.496 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER 72.18 -25.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.5 ttt180 -70.5 -38.01 74.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.214 0.531 . . . . 0.0 110.067 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.36 -38.27 90.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.918 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HE ' ' HA ' ' A' ' 71' ' ' SER . 85.7 mtm180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 21' ' ' LEU . 15.2 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.987 0.422 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -65.69 -159.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.16 -30.94 69.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.54 48.26 0.23 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.501 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.588 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.9 tt0 -61.62 -20.2 63.1 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.601 -0.352 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.16 -20.14 10.54 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.003 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.668 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttt -65.17 -63.92 0.99 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.298 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.811 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -74.27 27.17 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -124.05 -48.0 1.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.12 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 66' ' ' LEU . 1.1 pt -41.21 -54.53 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.874 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -81.15 -23.47 38.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.549 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.14 -39.82 71.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.161 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -88.41 -38.09 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.047 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 25' ' ' ILE . 71.8 t -64.16 -42.87 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.586 ' OE1' ' NH1' ' A' ' 74' ' ' ARG . 80.9 mm-40 -73.97 -5.41 41.12 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.56 -13.95 17.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.947 0.404 . . . . 0.0 110.878 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -96.21 -107.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.99 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -107.89 102.07 11.29 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.226 0.536 . . . . 0.0 110.633 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -37.61 87.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.818 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -79.12 -2.87 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.497 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -140.21 83.18 15.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.766 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' SER . 59.7 Cg_endo -71.52 153.8 60.35 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.828 2.352 . . . . 0.0 112.937 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.5 m-85 -86.32 176.07 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.465 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 42' ' ' GLU . 25.1 p -122.66 138.83 54.48 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.544 ' OD2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -25.85 -45.41 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 O-C-N 123.683 0.614 . . . . 0.0 110.623 -178.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 28.9 tp60 -62.86 -50.17 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.1 mt-10 -66.73 -48.03 70.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.907 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.667 ' CD1' HH21 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -58.99 -40.4 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.514 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.98 82.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.589 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.84 -50.08 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -66.92 -39.12 82.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.222 0.534 . . . . 0.0 110.226 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.39 -30.73 69.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.74 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -76.48 -12.9 60.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.57 -19.41 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.786 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.4 mmtt -87.49 -69.15 0.71 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.377 0.608 . . . . 0.0 109.969 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.43 29.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 54' ' ' VAL . 68.2 m-85 -106.65 -15.05 14.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.985 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 26.06 39.45 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.481 178.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -86.31 158.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.772 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -101.09 159.9 14.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.138 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -62.21 -26.81 68.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.974 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -82.7 -42.53 17.96 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 121.533 0.682 . . . . 0.0 110.889 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.21 -37.61 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.865 -177.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 59' ' ' VAL . . . -66.6 -41.76 87.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.33 0.586 . . . . 0.0 110.566 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.62 -38.31 86.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.708 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-85 -66.87 -55.97 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.301 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.669 HH22 ' CB ' ' A' ' 71' ' ' SER . 2.0 ptp180 -46.26 -28.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.641 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -88.15 -24.51 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.605 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.2 ptm -79.02 -40.92 30.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.373 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 25' ' ' ILE . 3.5 mp -60.75 -74.12 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.61 41.36 0.04 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.661 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.704 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -135.48 114.51 11.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -51.8 -48.59 20.73 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -165.04 18.5 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.339 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.704 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 40.0 t 60.28 -8.85 0.06 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.848 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.6 ttp180 -92.62 -32.11 14.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.373 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.85 -39.92 41.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.209 0.528 . . . . 0.0 111.582 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.586 ' NH1' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.732 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.085 0.469 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.866 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.9 p -76.21 -155.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.472 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -62.92 -28.43 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.0 45.49 0.18 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.331 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.866 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.4 tt0 -57.61 -20.42 32.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.976 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG21 ' A' ' 54' ' ' VAL . 1.8 pp -110.56 -24.14 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.026 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.746 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.6 ttt -64.34 -52.86 56.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.98 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.757 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.4 pttt -85.24 21.12 1.77 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -121.14 -36.86 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.965 HD11 HD13 ' A' ' 66' ' ' LEU . 2.0 pt -50.58 -48.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.847 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' H ' HG13 ' A' ' 25' ' ' ILE . 11.3 pttt -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.446 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -71.26 -38.51 71.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.385 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.7 -38.73 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.3 t -63.41 -43.01 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.26 -4.11 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.03 -17.13 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.36 -106.27 0.08 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -116.52 101.47 8.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -38.25 87.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.13 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -69.65 -18.46 63.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.51 83.79 53.11 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.298 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.43 164.09 35.99 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 123.012 2.475 . . . . 0.0 112.609 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -97.9 164.89 12.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.277 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.6 p -110.99 139.15 46.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 6.0 p30 -21.43 -48.27 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 O-C-N 123.679 0.612 . . . . 0.0 111.193 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.588 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.5 tp60 -64.8 -50.16 67.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -64.45 -43.82 93.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.238 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.34 -40.47 86.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.9 79.28 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.192 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.26 -49.84 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.035 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.4 mt -65.18 -39.51 85.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 0.0 109.958 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.7 mp -60.37 -27.35 67.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.613 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -82.16 -9.47 59.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.636 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.04 -13.17 33.73 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.009 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.627 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.2 mttt -99.2 -59.35 1.74 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 120.965 0.412 . . . . 0.0 110.605 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.82 32.22 0.02 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.84 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' VAL . 81.3 m-85 -109.9 -20.11 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 29.14 40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.676 HG21 HD22 ' A' ' 21' ' ' LEU . 7.6 p -91.73 137.41 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.58 32.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.233 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.16 -21.86 66.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.629 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -68.39 -40.41 81.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.837 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -79.5 -43.1 23.8 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.568 0.699 . . . . 0.0 109.842 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -32.93 60.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.331 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.619 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -72.07 -39.98 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.025 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -16.54 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.235 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-30 -88.34 -52.3 5.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.619 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -49.12 -27.83 3.79 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.475 -179.565 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -87.94 -20.89 25.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.636 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.3 ptm -84.1 -34.43 24.13 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.59 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.965 HD13 HD11 ' A' ' 25' ' ' ILE . 2.2 mp -69.9 -75.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 68' ' ' ILE . . . -179.51 42.22 0.08 OUTLIER Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 67' ' ' GLY . 3.4 mp -141.05 107.16 6.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.72 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.593 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 50.5 Cg_exo -53.0 -54.66 4.7 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.523 2.149 . . . . 0.0 111.917 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -148.74 6.87 0.73 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 111.225 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.74 -9.51 0.34 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.666 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.533 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.7 ttp180 -94.6 -30.23 14.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.908 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 2.9 pp20? -83.22 -35.44 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.763 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.745 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.925 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 HD23 ' A' ' 21' ' ' LEU . 15.3 mt . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.984 0.421 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 20' ' ' GLU . 80.4 p -68.12 -157.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.564 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -59.78 -28.83 67.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.297 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.23 49.84 0.13 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.614 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -60.94 -21.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.777 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -111.95 -22.32 11.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.762 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.6 ttp -64.2 -59.13 4.79 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.025 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.738 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.2 pttt -76.73 19.45 0.28 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.156 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -116.02 -43.23 3.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.0 pt -55.04 -49.26 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.587 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -83.19 -25.11 32.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.024 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -71.29 -38.3 71.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -88.4 -38.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' ILE . 67.3 t -63.97 -42.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.665 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.75 -0.06 22.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.836 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.74 -7.81 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.251 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -93.73 -109.59 0.12 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.352 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -120.28 101.01 7.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.664 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.43 -37.5 81.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.272 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.57 -32.73 71.81 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.476 0.655 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -120.69 78.65 30.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 71' ' ' SER . 62.0 Cg_endo -69.65 154.64 67.92 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.574 2.183 . . . . 0.0 113.024 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -88.66 166.81 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.484 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' C ' ' A' ' 40' ' ' ASP . 19.6 p -120.04 142.53 48.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.664 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.8 p-10 -24.71 -49.61 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 124.02 0.825 . . . . 0.0 111.097 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.6 tm0? -59.59 -67.51 0.37 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.307 0.575 . . . . 0.0 109.947 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 79.6 mm-40 -42.88 -58.89 2.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.431 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -52.52 -38.52 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.8 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.43 74.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.199 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -72.46 -49.11 35.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.867 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -63.71 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.04 -28.09 68.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -78.33 -12.33 60.0 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.72 -18.8 28.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.0 mmtt -89.53 -69.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 109.86 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.72 26.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.623 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 63.9 m-85 -103.59 -19.91 14.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.221 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 28.69 44.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.715 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -89.66 157.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -95.72 161.94 13.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.681 ' NH2' HH12 ' A' ' 57' ' ' ARG . 46.4 ttp180 -65.32 -23.32 66.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.206 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.681 HH12 ' NH2' ' A' ' 56' ' ' ARG . 9.6 mpt_? -67.03 -37.4 84.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -84.62 -42.09 15.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 110.475 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.85 -33.41 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.789 -178.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.05 -38.15 72.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.92 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.42 -37.83 65.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.371 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.606 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.9 m-30 -65.14 -48.25 74.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.877 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.623 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -68.55 -2.25 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.259 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -98.79 -24.5 14.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp -98.08 -29.74 13.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.841 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.69 -71.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.601 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 169.39 45.44 0.03 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.518 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -148.08 127.32 6.34 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.579 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 57.5 Cg_endo -72.22 -37.09 4.87 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.066 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 72' ' ' ARG . 47.5 p -175.24 6.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.621 179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 68' ' ' ILE . 16.8 p 65.18 -9.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.677 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.4 ttt180 -89.99 -34.2 16.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.408 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -71.59 -39.65 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt-85 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.423 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.796 HD12 HD23 ' A' ' 21' ' ' LEU . 19.2 mt . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 121.131 0.491 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.8 p -64.77 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.518 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.93 -28.02 67.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.38 48.75 0.14 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.764 ' OE1' HG23 ' A' ' 17' ' ' THR . 3.1 tt0 -60.03 -18.38 45.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.646 0.26 . . . . 0.0 111.145 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.45 -20.23 10.33 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.985 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.733 ' HG3' HD21 ' A' ' 66' ' ' LEU . 3.8 ttp -67.43 -59.92 3.0 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.663 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.822 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttm -77.72 27.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.24 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.822 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -125.92 -47.3 1.66 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.857 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.1 pt -46.23 -51.14 4.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.122 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -82.55 -25.42 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -84.64 -38.3 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.817 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.1 t -64.29 -42.07 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.412 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 80.4 mm-40 -77.73 -5.4 50.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.357 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -103.05 -14.27 16.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.991 0.424 . . . . 0.0 110.809 -179.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -92.39 -103.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -115.71 101.01 8.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.5 mttp -62.52 -38.55 90.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.363 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -72.06 -14.82 61.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.85 83.43 46.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.483 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.03 158.6 45.65 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.877 2.385 . . . . 0.0 112.593 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.1 m-85 -90.91 -170.92 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.375 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 p -133.78 137.08 44.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 56' ' ' ARG . 38.8 p-10 -24.83 -44.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.319 0.387 . . . . 0.0 111.377 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.8 tp60 -66.53 -48.1 70.78 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.4 mm-40 -66.17 -41.77 89.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.324 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.33 -41.11 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.92 82.33 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.035 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.23 -49.95 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.168 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.26 -40.17 87.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.124 0.488 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.26 -29.5 68.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.817 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -77.31 -12.39 59.95 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.69 -19.04 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 32.0 mmtt -87.67 -69.4 0.69 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.436 0.636 . . . . 0.0 110.113 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 28.06 0.02 OUTLIER Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.3 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 71.2 m-85 -104.36 -22.16 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.26 0.01 OUTLIER 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.667 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 21' ' ' LEU . 6.8 p -91.19 139.8 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.749 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.59 157.64 30.2 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.394 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 40' ' ' ASP . 3.2 tmt_? -63.75 -19.95 65.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -82.07 -42.53 19.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.322 0.582 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -64.61 -34.09 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.029 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -69.96 -41.69 74.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.96 -38.25 82.56 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -63.52 -51.36 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.907 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 6.5 ptp180 -48.22 -20.4 0.37 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.799 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 62' ' ' TYR . 80.2 tt0 -93.8 -22.12 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.632 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 66' ' ' LEU . 3.1 ppp? -83.01 -29.37 28.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.012 0.434 . . . . 0.0 110.505 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.857 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -75.55 -73.09 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.45 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.56 41.57 0.02 OUTLIER Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.371 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.7 mp -136.38 124.54 15.01 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.488 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.31 -39.66 3.68 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.088 1.858 . . . . 0.0 111.47 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 72' ' ' ARG . 43.3 p -169.75 10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.578 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.489 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 11.8 p 64.85 -10.75 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.7 ttt180 -85.63 -37.04 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.223 0.535 . . . . 0.0 110.074 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -70.34 -39.11 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.224 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.755 -179.129 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 21' ' ' LEU . 22.5 mt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.028 0.442 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.5 p -75.04 -159.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.685 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -33.9 61.01 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.33 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.06 51.27 0.17 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.644 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.9 tt0 -60.72 -23.16 64.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.668 0.271 . . . . 0.0 110.984 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -109.4 -20.88 12.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.711 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.9 ttp -66.1 -58.56 5.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.218 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.73 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.0 pttp -79.39 20.82 0.52 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.044 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -118.23 -42.52 2.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.871 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.968 HD11 HD13 ' A' ' 66' ' ' LEU . 4.1 pt -53.66 -48.07 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.315 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.47 -27.45 27.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.885 0.374 . . . . 0.0 111.382 -179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 78.9 tt0 -71.52 -35.45 70.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.128 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -89.16 -39.02 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.3 t -64.62 -42.44 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' OE1' ' NH2' ' A' ' 74' ' ' ARG . 95.9 mt-10 -75.36 -5.73 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.145 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -106.12 -10.98 16.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.273 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -92.75 -109.7 0.11 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.967 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -115.59 100.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.0 -38.49 88.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.393 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -62.25 -33.07 73.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 78.87 29.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.143 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.62 152.42 64.87 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.674 2.25 . . . . 0.0 112.835 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 38.7 m-85 -84.32 -177.06 6.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.591 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.2 p -133.0 140.78 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.351 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' H ' ' NH1' ' A' ' 63' ' ' ARG . 37.5 p-10 -24.08 -48.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.152 0.283 . . . . 0.0 111.492 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.6 tp60 -63.08 -50.47 70.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.766 0.317 . . . . 0.0 111.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mp0 -64.59 -44.14 91.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.878 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.461 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.96 -41.36 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.29 80.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.967 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -66.32 -50.43 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.079 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.4 -40.17 87.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.265 0.555 . . . . 0.0 110.19 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -60.84 -27.93 68.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -79.21 -11.68 59.96 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.46 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.73 -19.25 27.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -89.16 -68.35 0.78 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.321 0.581 . . . . 0.0 110.007 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 31.11 0.02 OUTLIER Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.094 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.615 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -109.47 -12.73 14.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 21.22 43.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.135 0 O-C-N 123.983 0.802 . . . . 0.0 110.925 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.615 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -90.38 157.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -96.72 160.2 14.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.216 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 26.7 ttm180 -61.29 -24.79 66.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -66.46 -41.11 89.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.347 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -80.35 -42.75 22.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.53 0.681 . . . . 0.0 110.338 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -33.76 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.72 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.05 -41.38 74.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.14 -39.32 82.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -65.38 -46.75 78.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.828 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.574 ' NH1' ' H ' ' A' ' 40' ' ' ASP . 15.6 ptm180 -67.75 -19.55 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.221 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.56 -23.5 25.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.651 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ptm -96.8 -31.07 12.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.968 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -61.85 -71.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 110.868 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.25 36.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.467 HG12 HH11 ' A' ' 74' ' ' ARG . 3.8 mp -135.87 127.52 17.31 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.71 -42.93 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.251 1.968 . . . . 0.0 111.76 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.588 ' C ' ' H ' ' A' ' 72' ' ' ARG . 21.1 p -172.13 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.346 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' NH2' ' A' ' 63' ' ' ARG . 2.5 m 61.06 -8.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.8 ttt180 -85.17 -37.55 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.218 0.532 . . . . 0.0 110.105 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -70.25 -39.68 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.196 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.479 ' NH2' ' OE1' ' A' ' 30' ' ' GLU . 83.1 mtp180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.449 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.77 HD12 HD23 ' A' ' 21' ' ' LEU . 19.7 mt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 121.106 0.479 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.2 p -69.32 -153.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.44 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.533 HE21 ' NZ ' ' A' ' 23' ' ' LYS . 16.6 pt20 -60.41 -27.94 67.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.4 tt0 -54.68 -17.81 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -113.56 -25.55 8.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.37 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.818 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.65 -47.41 81.39 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.779 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -88.62 19.75 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -120.29 -33.63 3.85 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.062 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.792 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.5 pt -62.68 -46.13 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.733 . . . . 0.0 111.096 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -84.19 -23.56 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 111.392 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.76 -39.45 76.71 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.557 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 pp -89.85 -38.14 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.0 t -63.31 -41.49 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.384 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.41 0.47 22.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.78 -0.23 11.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -100.35 -111.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -114.61 103.06 10.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.22 -39.53 90.61 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.262 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -70.33 -14.46 62.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.389 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -133.51 83.28 49.39 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.375 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' SER . 61.3 Cg_endo -71.97 155.29 57.65 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.92 2.413 . . . . 0.0 112.727 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.462 ' CB ' HG23 ' A' ' 43' ' ' ILE . 70.2 m-85 -88.66 161.72 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.319 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.4 p -113.63 140.56 48.1 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.3 p-10 -27.29 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.784 0.678 . . . . 0.0 110.918 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 27.7 tp60 -62.3 -49.55 75.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.1 mm-40 -63.06 -56.35 17.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.631 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -53.26 -38.54 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.163 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.099 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.89 -50.69 54.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.432 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.7 mt -64.67 -39.22 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.4 -31.11 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -77.3 -11.8 59.88 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.507 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -87.25 -19.17 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 46' ' ' ILE . 28.6 mmtt -90.0 -70.15 0.68 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.098 0.475 . . . . 0.0 109.925 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.47 20.85 0.02 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.024 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -96.58 -19.18 19.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.7 ptmt 27.32 43.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 123.842 0.714 . . . . 0.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.566 HG22 ' N ' ' A' ' 55' ' ' ALA . 2.4 p -86.27 162.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.705 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.566 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.94 154.18 17.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.52 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.92 -31.74 70.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -66.27 -35.61 80.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.635 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -77.46 -44.68 28.11 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.579 0.704 . . . . 0.0 110.064 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -30.96 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.642 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 -27.1 60.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -89.54 -13.01 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.5 m-30 -91.65 -43.05 9.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.966 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -52.57 -29.76 27.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.796 -179.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 42.6 tt0 -89.35 -24.62 21.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 62' ' ' TYR . 4.8 ptm -78.02 -21.73 50.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.774 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.818 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.6 OUTLIER -87.68 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.964 0.411 . . . . 0.0 110.905 -179.423 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.08 32.3 0.02 OUTLIER Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.13 103.61 10.6 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 52.1 Cg_exo -52.21 -47.95 24.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.698 2.266 . . . . 0.0 111.686 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 72' ' ' ARG . 33.9 p -162.95 12.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.503 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 3.9 t 64.27 -9.44 0.16 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.815 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttt85 -89.82 -34.57 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.57 -39.4 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.315 -179.746 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD12 HD23 ' A' ' 21' ' ' LEU . 16.7 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.45 HG23 ' OE1' ' A' ' 20' ' ' GLU . 65.5 p -75.15 -159.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -34.17 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.256 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.24 53.63 0.16 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.1 tt0 -61.67 -30.03 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -102.6 -20.96 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.0 ttt -65.55 -51.37 60.34 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.95 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.765 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 pttt -89.39 19.88 4.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.649 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -119.89 -34.72 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.289 -179.073 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -85.07 -22.52 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.587 -179.021 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 75.9 tt0 -70.05 -38.93 75.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -90.07 -38.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.9 t -65.0 -41.36 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.623 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 79.8 mm-40 -80.17 -4.99 55.27 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.011 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -103.78 -13.23 16.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -90.87 -102.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -118.96 98.73 6.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 30' ' ' GLU . 67.8 mttm -61.03 -37.66 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.343 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -66.64 -20.01 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.468 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.8 83.71 52.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.71 153.7 59.38 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.894 2.396 . . . . 0.0 112.642 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.3 m-85 -83.11 -168.28 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -136.8 133.71 36.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.2 p-10 -22.18 -45.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.397 0.436 . . . . 0.0 111.054 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.586 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.5 tp60 -65.72 -50.45 64.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.49 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -63.78 -43.68 95.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.051 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.11 72.63 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.38 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.27 -51.55 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.636 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.0 mt -65.21 -39.78 86.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -60.91 -31.53 71.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -75.54 -12.29 60.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.68 -19.01 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.758 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.636 ' HE3' HG22 ' A' ' 46' ' ' ILE . 27.9 mmtt -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.884 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.78 23.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.69 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' VAL . 70.7 m-85 -98.71 -18.05 18.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.355 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 29.62 38.77 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.698 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.551 HG21 HD22 ' A' ' 21' ' ' LEU . 8.7 p -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.203 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.32 18.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -65.64 -24.21 66.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.387 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -69.33 -36.33 76.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -80.86 -42.76 21.01 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.26 0.552 . . . . 0.0 110.269 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -65.83 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.094 -178.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.547 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.45 -37.85 83.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.522 . . . . 0.0 110.772 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.31 -36.14 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.806 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.61 -54.16 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.477 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -42.88 -27.42 0.18 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -93.72 -22.52 18.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.738 ' HG2' HD12 ' A' ' 66' ' ' LEU . 7.8 ptm -76.01 -37.78 58.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.487 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.738 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mp -62.61 -71.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.35 -26.02 0.06 OUTLIER Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.453 -0.879 . . . . 0.0 111.225 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -69.16 115.98 37.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.029 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.564 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 65.8 Cg_exo -50.87 -52.54 8.86 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.472 2.115 . . . . 0.0 111.991 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.605 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.6 p -173.65 10.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.593 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m 65.4 -16.05 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 70' ' ' SER . 45.9 ttm-85 -71.37 -43.41 66.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.764 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 1.8 pp20? -78.32 -33.2 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.207 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.938 -179.599 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.951 0.405 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' OE2' ' A' ' 20' ' ' GLU . 60.1 p -68.14 -156.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.317 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -61.78 -29.47 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . -173.18 49.41 0.16 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.1 tt0 -60.81 -19.34 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.768 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.98 -21.9 9.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.777 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.2 ttp -63.75 -61.27 2.41 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.368 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.827 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -75.62 23.7 0.12 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.827 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -121.22 -45.78 2.33 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.2 pt -51.24 -51.56 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.728 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.13 -27.19 30.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.973 0.416 . . . . 0.0 111.553 -178.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 81.6 tt0 -71.28 -37.79 71.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.73 -36.53 9.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.356 0.41 . . . . 0.0 110.658 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.7 t -66.14 -41.6 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.27 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.12 -4.68 42.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.198 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -13.9 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.04 -105.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.002 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -115.63 99.96 7.71 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.59 -35.14 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.446 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -77.21 10.03 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.346 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -156.83 74.91 4.51 Favored Pre-proline 0 CA--C 1.521 -0.162 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.66 153.06 69.79 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 123.082 2.521 . . . . 0.0 112.827 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 21.1 m-85 -86.9 170.75 11.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 110.658 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 6.7 p -116.71 133.52 55.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 35.9 p-10 -24.38 -47.43 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 O-C-N 123.856 0.723 . . . . 0.0 110.822 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.3 tp60 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.8 mt-10 -62.53 -52.19 64.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.462 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.37 -38.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.711 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.79 72.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.181 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.91 -51.78 24.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -62.73 -39.54 85.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.249 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.01 -27.99 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -78.99 -10.86 59.95 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.481 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.11 -18.34 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.1 mmtt -90.3 -70.1 0.69 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 110.07 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 26.13 0.03 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.574 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 58.6 m-85 -103.74 -23.5 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.237 0.541 . . . . 0.0 110.676 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.2 p -86.69 159.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.414 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.62 160.17 14.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.558 . . . . 0.0 111.181 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.1 ttm180 -62.86 -24.58 67.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -82.65 -43.07 17.38 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.176 0.512 . . . . 0.0 110.542 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -32.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.775 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -73.62 -40.37 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.081 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -72.09 -34.57 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 65' ' ' MET . 2.7 m-30 -65.92 -56.39 12.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.581 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' O ' ' O ' ' A' ' 68' ' ' ILE . 1.3 ptp85 -39.89 -31.71 0.13 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.015 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 83.7 tt0 -85.22 -27.71 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -74.58 -35.78 63.03 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.627 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -68.13 -70.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.22 -57.87 0.06 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.3 mt -50.21 133.59 23.88 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.685 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 -58.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.372 2.048 . . . . 0.0 111.975 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 72' ' ' ARG . 53.6 p -147.96 5.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.912 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.7 p 69.6 -20.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.672 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.9 ttp180 -75.6 -36.59 60.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.113 0.483 . . . . 0.0 110.152 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 15.2 mt-10 -64.75 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.816 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HE ' HG23 ' A' ' 68' ' ' ILE . 95.2 mtt-85 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.202 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' NE2' ' O ' ' A' ' 17' ' ' THR . 1.3 t-80 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.5 mmm -65.16 -39.86 93.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.722 HD12 HD23 ' A' ' 21' ' ' LEU . 18.5 mt -96.73 -178.97 4.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 ' O ' ' NE2' ' A' ' 14' ' ' HIS . 30.9 p -76.35 -155.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -62.02 -28.15 69.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.349 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.08 48.03 0.15 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.339 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.6 tt0 -60.41 -17.97 47.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -116.18 -23.16 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.728 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.01 -59.24 5.08 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.631 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.798 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -76.67 23.59 0.16 Allowed 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.096 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -119.04 -48.17 2.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.768 HD11 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -52.17 -54.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.535 -178.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.37 -26.73 30.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.654 -178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 41.4 tt0 -70.73 -37.57 73.48 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.588 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -88.97 -36.71 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.414 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.6 t -66.26 -41.51 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.394 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -74.96 -5.02 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.658 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.52 -0.02 17.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.263 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -104.07 -111.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -105.26 100.85 10.43 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -37.37 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.3 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -75.69 -6.9 52.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -137.99 82.93 24.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.18 153.42 56.83 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.694 2.263 . . . . 0.0 112.651 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 21.2 m-85 -87.25 178.38 6.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.973 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.2 p -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.929 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.0 p-10 -22.48 -47.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.64 0.587 . . . . 0.0 111.147 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 35.1 tp60 -65.31 -49.77 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.768 0.318 . . . . 0.0 111.598 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.638 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.4 mp0 -63.66 -48.55 76.75 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.419 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.449 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -58.01 -40.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.19 77.59 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.014 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -66.19 -50.6 63.32 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.665 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.9 mt -65.84 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.99 -30.19 70.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -76.7 -12.86 60.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -86.89 -19.11 29.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.996 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.601 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.5 mmtt -89.8 -68.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.42 28.61 0.02 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.276 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 54' ' ' VAL . 59.6 m-85 -108.24 -13.3 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 19.91 46.29 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 123.984 0.802 . . . . 0.0 110.96 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.614 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -93.0 139.94 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.695 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 152.93 38.45 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.5 ' NH1' ' H71' ' B' ' 104' ' ' ' DT' . 5.0 tmm_? -60.93 -22.38 64.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.276 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.681 ' HE ' ' H41' ' C' ' 123' ' ' ' DC' . 83.2 mtt85 -65.88 -39.84 91.05 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.079 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -82.02 -42.2 19.64 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.415 0.626 . . . . 0.0 110.464 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -61.54 -33.9 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.4 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.35 71.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.134 0.492 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.07 -37.24 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.641 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -67.02 -59.37 3.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.406 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.661 HH21 " C3'" ' B' ' 104' ' ' ' DT' . 10.5 ptt85 -43.24 -28.47 0.31 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.435 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -84.68 -30.61 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' TYR . 8.1 ptm -73.95 -41.77 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -61.2 -54.79 39.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.144 0.497 . . . . 0.0 110.908 -179.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.576 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 151.88 34.35 0.03 OUTLIER Glycine 0 C--N 1.317 -0.526 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.344 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 71' ' ' SER . 3.1 mp -129.6 130.23 23.23 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.596 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 56.9 Cg_endo -72.11 -44.68 0.81 Allowed 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.443 2.095 . . . . 0.0 112.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.573 ' C ' ' H ' ' A' ' 72' ' ' ARG . 16.6 p -171.98 13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.365 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.9 m 61.27 -7.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 70' ' ' SER . 73.4 ttt180 -86.32 -35.61 19.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.965 0.412 . . . . 0.0 110.132 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.97 -39.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.877 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt180 -61.78 -38.47 88.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.733 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -66.73 -45.48 78.52 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.516 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.9 tp . . . . . 0 C--N 1.32 -0.678 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.496 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.131 0 O4'-C1'-C2' 107.905 1.64 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.496 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.622 0 C1'-O4'-C4' 107.775 -1.375 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.249 0 C1'-O4'-C4' 107.085 -1.868 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.661 " C3'" HH21 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.76 0 C4'-C3'-C2' 105.304 2.104 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.542 ' P ' ' NH2' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-C2' 108.216 1.923 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C1'-N19 106.821 -1.223 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.775 0 O4'-C1'-C2' 108.1 1.818 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.111 0 O4'-C1'-C2' 108.279 1.981 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.11 0 O5'-C5'-C4' 112.22 1.443 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.16 0 C4'-C3'-C2' 101.492 -1.708 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.466 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 O4'-C1'-C2' 108.202 1.911 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.521 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.559 0 C1'-O4'-C4' 107.2 -1.785 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.521 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.095 0 C4'-C3'-C2' 105.123 1.923 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.187 0 O4'-C1'-N19 105.766 -2.543 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C1'-C2' 108.076 1.796 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.479 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.946 0 O4'-C1'-C2' 108.068 1.789 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.604 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-C2' 107.847 1.588 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.604 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 C4'-C3'-C2' 104.634 1.434 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.505 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-C2' 108.496 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.554 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.038 0 O4'-C4'-C3' 107.625 2.025 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C4'-C3' 107.935 2.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.509 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.701 0 O4'-C1'-N19 106.226 -1.967 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.681 ' H41' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 C4'-C3'-C2' 104.876 1.676 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 0 O4'-C1'-C2' 107.626 1.387 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O3'-P-O5' 101.173 -1.488 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.184 0 O4'-C1'-C2' 107.538 1.308 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.564 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.801 0 C4'-C3'-C2' 105.31 2.11 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.564 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.263 0 O4'-C1'-N19 106.358 -1.803 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.686 ' N ' ' HZ1' ' A' ' 53' ' ' LYS . 98.0 m-70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 16' ' ' LEU . 67.3 mtt 57.75 56.52 4.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.684 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD12 HD23 ' A' ' 21' ' ' LEU . 13.5 mt -47.47 178.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 20' ' ' GLU . 79.2 p -68.57 -159.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.748 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -59.92 -30.87 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.486 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.57 48.54 0.2 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -61.87 -21.03 64.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.758 -0.26 . . . . 0.0 110.76 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -116.33 -20.77 9.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.798 0.333 . . . . 0.0 111.17 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.717 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.8 ttp -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.912 -179.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.666 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.1 pttp -75.77 16.75 0.36 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.194 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.9 mm? -111.4 -45.22 3.42 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.909 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.821 HD11 ' CD1' ' A' ' 66' ' ' LEU . 1.8 pt -52.29 -51.59 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.658 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -81.71 -29.12 33.1 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.621 -179.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 81.4 tt0 -72.21 -36.81 69.28 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.85 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -85.72 -38.5 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.011 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.2 t -65.35 -42.35 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -74.23 -5.36 41.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.265 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -101.94 -12.65 18.05 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -96.12 -106.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -114.47 100.22 8.14 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.145 0.498 . . . . 0.0 110.089 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.5 -38.35 89.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.803 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.03 7.88 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -157.43 77.86 3.74 Favored Pre-proline 0 CA--C 1.519 -0.247 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.88 151.41 85.33 Favored 'Trans proline' 0 C--N 1.3 -2.016 0 C-N-CA 122.967 2.445 . . . . 0.0 112.468 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 16.1 m-85 -80.53 -176.6 5.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.998 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' N ' ' A' ' 42' ' ' GLU . 4.4 p -128.45 135.71 49.86 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 39' ' ' SER . 31.4 p-10 -25.72 -49.21 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.539 0.524 . . . . 0.0 111.369 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 32.8 tp60 -62.31 -46.8 87.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.431 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.598 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.9 mt-10 -67.03 -49.26 65.79 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.974 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.51 -41.27 78.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.265 0.555 . . . . 0.0 109.642 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.63 80.74 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.79 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.89 -49.18 68.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.235 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -66.41 -39.94 85.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.208 0.528 . . . . 0.0 109.909 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.73 -31.93 71.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -75.72 -12.06 60.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.589 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.99 -19.09 27.68 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.798 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -87.77 -68.84 0.73 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.44 0.638 . . . . 0.0 110.259 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.27 29.14 0.02 OUTLIER Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.16 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 71.5 m-85 -105.81 -16.61 14.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.686 ' HZ1' ' N ' ' A' ' 14' ' ' HIS . 0.6 OUTLIER 29.3 40.23 0.0 OUTLIER 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.652 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.1 p -88.36 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.874 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.528 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.16 163.38 12.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.106 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -62.77 -25.1 68.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.746 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.55 ' NH1' ' OP2' ' C' ' 122' ' ' ' DG' . 9.4 mtm180 -66.4 -40.38 89.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.615 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -81.49 -42.99 19.44 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 121.605 0.717 . . . . 0.0 110.309 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -34.4 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.72 -177.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . . . -71.78 -33.73 68.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.555 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -83.87 -15.46 48.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.197 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD1' HD11 ' A' ' 21' ' ' LEU . 2.5 m-85 -87.51 -45.07 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.585 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.515 HH22 " H3'" ' B' ' 104' ' ' ' DT' . 18.5 ptt85 -62.12 -24.16 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.339 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' OE1' ' OP1' ' B' ' 105' ' ' ' DG' . 81.4 tt0 -83.5 -27.1 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.9 ptm -86.91 -31.19 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.712 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.7 -70.56 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 179.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 172.2 33.01 0.03 OUTLIER Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.476 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.468 HG12 HH11 ' A' ' 74' ' ' ARG . 2.4 mt -137.46 125.29 14.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.663 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.19 -34.76 15.72 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.067 1.845 . . . . 0.0 111.781 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 71' ' ' SER . 26.4 p -173.03 -2.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.666 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' SER . 0.8 OUTLIER 77.8 -29.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.558 0.218 . . . . 0.0 110.689 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.5 ttt-85 -69.07 -38.34 79.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.294 0.569 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.04 -38.74 91.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.973 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.468 HH11 HG12 ' A' ' 68' ' ' ILE . 83.6 mtp180 -62.62 -35.62 80.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.472 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.4 tmt_? -89.4 -71.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.01 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 76' ' ' ILE . 8.4 tp . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.467 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 O4'-C1'-C2' 107.924 1.658 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.467 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 C1'-O4'-C4' 107.425 -1.625 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.545 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.323 0 C1'-O4'-C4' 106.819 -2.058 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.545 ' H71' " H2'" ' B' ' 103' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 C4'-C3'-C2' 105.062 1.862 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.443 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 106.041 -2.199 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O5'-C5'-C4' 111.94 1.243 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 0 O4'-C1'-C2' 108.011 1.737 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.43 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.052 0 O4'-C1'-C2' 108.159 1.872 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.498 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O5'-C5'-C4' 112.686 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.498 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.286 0 C4'-C3'-C2' 101.878 -1.322 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.689 0 O4'-C1'-C2' 108.1 1.819 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.424 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.432 0 C1'-O4'-C4' 107.734 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.424 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 C4'-C3'-C2' 105.137 1.937 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 0 O4'-C1'-N19 106.132 -2.085 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.878 0 O4'-C1'-C2' 108.151 1.865 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.609 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.285 0 O4'-C1'-C2' 107.843 1.585 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O3'-P-O5' 101.467 -1.333 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 C3'-C2'-C1' 104.668 1.406 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.517 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.205 0 O4'-C1'-C2' 108.337 2.034 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.578 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.093 0 O4'-C4'-C3' 107.298 1.698 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.462 ' OP2' ' N ' ' A' ' 55' ' ' ALA . . . . . . . . 0 C5'--C4' 1.524 1.679 0 O4'-C4'-C3' 108.099 2.499 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.55 ' OP2' ' NH1' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.521 0 O4'-C1'-C2' 107.674 1.431 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.496 ' N4 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.786 0 C4'-C3'-C2' 104.64 1.44 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.407 ' C6 ' " H2'" ' C' ' 123' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O5'-C5'-C4' 112.768 1.834 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.939 0 O4'-C1'-C2' 107.72 1.472 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.098 0 O4'-C1'-C2' 107.548 1.316 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.442 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.606 0 C4'-C3'-C2' 105.237 2.037 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.442 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 C3'-C2'-C1' 104.601 1.358 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.503 ' SD ' ' NZ ' ' A' ' 53' ' ' LYS . 63.5 mtt -63.19 -41.0 99.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.756 HD12 HD23 ' A' ' 21' ' ' LEU . 21.1 mt -96.63 173.57 7.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.689 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.8 p -73.07 -160.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.609 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.5 -32.22 57.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.318 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.34 52.14 0.17 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.476 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.689 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.2 tt0 -62.54 -19.21 63.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.581 0.229 . . . . 0.0 110.964 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD12 ' A' ' 16' ' ' LEU . 1.8 pp -113.27 -21.22 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.6 ttp -65.03 -63.73 1.04 Allowed 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.68 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.708 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -72.56 18.01 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.237 -178.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.02 -46.13 3.13 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.823 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.876 HD11 HD13 ' A' ' 66' ' ' LEU . 2.1 pt -49.7 -51.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.329 -0.549 . . . . 0.0 111.707 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' H ' HG13 ' A' ' 25' ' ' ILE . 1.6 pttp -82.84 -30.05 28.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.053 0.454 . . . . 0.0 111.788 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 82.4 tt0 -70.42 -36.55 74.07 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.458 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.1 -38.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.342 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 25' ' ' ILE . 58.6 t -66.5 -33.04 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.623 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -85.66 -5.98 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.637 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.95 -11.48 18.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -94.88 -107.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -115.86 100.68 8.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.468 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.85 -38.45 88.27 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.318 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 40.2 ptt180 -68.0 -19.13 64.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -133.26 83.99 48.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.248 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.36 162.07 41.16 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.975 2.45 . . . . 0.0 112.655 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 19.8 m-85 -89.95 -160.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.713 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.616 ' O ' ' N ' ' A' ' 42' ' ' GLU . 12.1 p -145.34 131.89 19.83 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.6 p-10 -22.29 -47.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.905 0.384 . . . . 0.0 111.37 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.573 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 36.7 tp60 -64.65 -50.55 66.63 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.395 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.616 ' N ' ' O ' ' A' ' 39' ' ' SER . 71.1 mm-40 -63.18 -43.87 97.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.5 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.44 -41.18 89.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.7 79.02 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.695 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.75 -51.78 45.2 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.231 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.607 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.6 mt -64.22 -39.57 85.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.023 0.439 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -62.23 -30.99 71.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.796 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -76.12 -11.89 60.01 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.356 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -87.74 -18.7 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.996 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.607 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.2 mmtt -90.13 -69.34 0.73 Allowed 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.332 0.586 . . . . 0.0 110.098 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.74 26.39 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.628 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 54' ' ' VAL . 72.0 m-85 -104.53 -13.3 16.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.107 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' NZ ' ' SD ' ' A' ' 15' ' ' MET . 4.0 ptmt 28.12 37.75 0.0 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -88.56 155.9 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -106.78 162.94 13.35 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.743 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.653 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 3.3 ttt180 -61.13 -23.89 65.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.193 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' HE ' " H2'" ' C' ' 121' ' ' ' DT' . 21.0 mtm-85 -63.95 -39.72 94.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.561 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.485 HG21 ' P ' ' C' ' 120' ' ' ' DG' . 1.9 m -85.87 -43.06 13.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.293 0.568 . . . . 0.0 111.014 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -33.5 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.539 -178.091 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -34.22 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.43 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.64 ' NZ ' ' H41' ' B' ' 107' ' ' ' DC' . 98.2 mttt -81.09 -20.52 41.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.142 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -85.17 -39.59 17.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.486 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 8.4 ptp180 -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.954 0.407 . . . . 0.0 110.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 16.8 pt-20 -94.53 -21.07 19.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.813 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 ptm -82.56 -35.22 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.975 0.417 . . . . 0.0 110.389 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.876 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.79 -74.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.76 36.08 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.465 ' CG1' HH11 ' A' ' 74' ' ' ARG . 3.9 mp -125.4 106.7 27.31 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.974 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.54 -47.4 27.31 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.475 2.117 . . . . 0.0 111.738 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 72' ' ' ARG . 55.2 p -170.11 15.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.73 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 t 60.37 -9.29 0.06 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.225 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 70' ' ' SER . 72.1 ttt180 -87.87 -37.08 16.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.061 0.457 . . . . 0.0 110.255 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -72.08 -36.94 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.163 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.465 HH11 ' CG1' ' A' ' 68' ' ' ILE . 84.0 mtp180 -61.01 -36.16 78.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.528 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.9 ttt180 -65.42 -45.85 82.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.699 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.755 -179.163 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.496 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-C2' 107.675 1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.496 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O4'-C1'-C2' 107.547 1.316 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.42 ' H73' ' C5 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.157 0 C1'-O4'-C4' 106.808 -2.066 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.653 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.708 0 C4'-C3'-C2' 105.003 1.803 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.539 ' O6 ' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-C2' 108.171 1.883 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 106.722 -1.348 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . 0.64 ' H41' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 108.094 1.813 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.41 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.097 0 O4'-C1'-C2' 108.332 2.029 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.495 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.331 0 O5'-C5'-C4' 112.339 1.528 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.495 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.324 0 C4'-C3'-C2' 101.745 -1.455 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.478 ' C5 ' ' H72' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 O4'-C1'-C2' 108.179 1.89 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.623 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 C1'-O4'-C4' 107.779 -1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.623 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.575 0 C4'-C3'-C2' 105.295 2.095 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.135 0 O4'-C1'-N19 106.088 -2.139 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.105 0 O4'-C1'-C2' 108.162 1.874 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.097 0 O4'-C1'-C2' 107.809 1.553 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.637 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.19 0 O4'-C1'-C2' 107.875 1.614 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.637 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.792 0 C4'-C3'-C2' 105.643 2.443 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-C2' 109.003 2.639 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.548 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C4'-C3' 107.57 1.97 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.504 " H2'" ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.919 0 O4'-C4'-C3' 108.191 2.591 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.559 ' C5 ' ' C4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 106.151 -2.061 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.559 ' C4 ' ' C5 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 C4'-C3'-C2' 104.951 1.751 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 O4'-C1'-C2' 107.697 1.451 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O3'-P-O5' 101.351 -1.394 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.229 0 O3'-P-O5' 101.684 -1.219 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.78 0 C4'-C3'-C2' 104.911 1.711 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.505 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.131 0 O4'-C1'-N19 106.337 -1.829 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.7 mtp -91.82 73.81 5.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.477 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 21' ' ' LEU . 14.8 mt -56.01 175.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' OE1' ' A' ' 20' ' ' GLU . 59.1 p -70.81 -159.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -60.21 -30.49 69.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.51 49.08 0.21 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.7 tt0 -62.48 -15.92 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.292 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -120.46 -21.63 6.75 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.06 0.457 . . . . 0.0 111.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.8 ttp -63.92 -52.81 58.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.949 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.672 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -80.65 15.69 1.63 Allowed 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.914 -178.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 23' ' ' LYS . 3.6 mm? -109.19 -48.87 3.2 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.84 ' O ' HG22 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -50.06 -54.85 6.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.559 0.695 . . . . 0.0 111.648 -178.128 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -31.47 63.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.266 0.555 . . . . 0.0 111.207 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 79.4 tt0 -75.68 -41.81 52.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.271 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -69.4 -41.04 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 25' ' ' ILE . 27.5 m -70.65 -38.62 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 C-N-CA 119.124 -1.03 . . . . 0.0 111.077 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.36 2.39 4.93 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.126 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.06 -15.4 11.15 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.525 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -97.46 -110.94 0.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.87 0.367 . . . . 0.0 111.268 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -111.92 101.8 10.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.439 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.17 -39.05 91.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.316 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.3 mtt180 -62.12 -32.14 72.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.044 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -128.99 81.63 70.46 Favored Pre-proline 0 C--N 1.312 -1.023 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.414 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.06 163.87 37.06 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.394 2.063 . . . . 0.0 112.609 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 29' ' ' VAL . 35.8 m-85 -86.92 172.86 9.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.1 p -119.16 137.98 53.24 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.642 ' CA ' HH21 ' A' ' 63' ' ' ARG . 18.7 p-10 -20.4 -48.74 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 124.042 0.839 . . . . 0.0 111.0 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' N ' ' O ' ' A' ' 39' ' ' SER . 2.9 tm0? -60.07 -67.69 0.36 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.134 0.493 . . . . 0.0 110.143 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 96.5 mt-10 -46.72 -49.65 19.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.668 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.49 -39.11 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -179.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.4 75.79 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -70.8 -50.74 32.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.717 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.6 HG22 ' CE ' ' A' ' 50' ' ' LYS . 3.8 mt -65.55 -37.93 81.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -60.85 -24.24 65.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.761 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -84.77 -8.86 58.66 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.35 -8.65 44.4 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.103 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.6 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.4 mttt -105.48 -63.06 1.28 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.395 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.68 46.36 0.03 OUTLIER Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.502 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -127.74 -14.86 5.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.578 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.3 OUTLIER 21.73 44.77 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 O-C-N 124.031 0.832 . . . . 0.0 111.357 179.361 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.3 p -94.47 138.74 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.728 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.85 157.94 28.24 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.81 -22.77 65.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.28 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' NE ' ' N7 ' ' C' ' 122' ' ' ' DG' . 65.4 mtt85 -62.95 -40.18 96.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.059 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -85.91 -40.65 15.68 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 121.113 0.482 . . . . 0.0 110.558 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -60.5 -30.75 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.084 -178.472 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.29 44.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.91 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 60.7 mmtt -89.57 -17.9 27.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.292 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-30 -90.44 -33.96 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.342 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.642 HH21 ' CA ' ' A' ' 40' ' ' ASP . 8.8 ptp180 -57.85 -29.42 64.96 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.407 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 82.8 tt0 -93.78 -20.79 19.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.408 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.409 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 5.6 ptm -75.18 -37.98 61.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.966 0.413 . . . . 0.0 110.349 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -70.44 -72.55 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.748 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.62 36.45 0.03 OUTLIER Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.275 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -133.31 132.47 22.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.75 -56.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.033 1.822 . . . . 0.0 111.617 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 72' ' ' ARG . 82.0 p -147.33 3.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.245 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 68' ' ' ILE . 0.7 OUTLIER 70.25 -14.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.456 -179.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.1 ttt-85 -88.27 -32.38 18.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.53 -39.29 81.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.655 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.472 HH11 HG12 ' A' ' 68' ' ' ILE . 83.3 mtp180 -62.91 -39.73 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.229 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.654 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -64.58 -48.7 73.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.58 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.53 HD12 ' NH1' ' A' ' 75' ' ' ARG . 8.0 tp . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 117.928 -1.035 . . . . 0.0 110.696 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.494 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.988 0 O4'-C1'-C2' 107.851 1.592 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.494 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 C1'-O4'-C4' 107.641 -1.471 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.39 0 C1'-O4'-C4' 106.805 -2.068 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.554 ' OP1' ' NH1' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 C4'-C3'-C2' 104.721 1.521 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.35 0 O4'-C1'-N19 105.889 -2.388 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.481 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.93 0 O3'-P-O5' 101.849 -1.132 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.859 0 O4'-C1'-C2' 108.031 1.755 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.027 0 O4'-C1'-C2' 108.141 1.856 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.535 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.216 0 O5'-C5'-C4' 112.322 1.515 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.535 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.29 0 C4'-C3'-C2' 101.791 -1.409 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.502 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 O4'-C1'-C2' 108.121 1.838 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.532 0 C1'-O4'-C4' 107.394 -1.647 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 C4'-C3'-C2' 105.02 1.82 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 0 O4'-C1'-N19 106.143 -2.072 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 0 O4'-C1'-C2' 108.058 1.78 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.608 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.307 0 O4'-C1'-C2' 107.853 1.594 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.622 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O4'-C1'-C2' 107.77 1.518 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.622 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 C3'-C2'-C1' 104.782 1.487 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.504 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.754 0 O4'-C1'-C2' 108.431 2.119 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.55 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C4'-C3' 107.619 2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.102 0 O4'-C4'-C3' 108.11 2.51 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.429 ' O6 ' ' O6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.694 0 O4'-C1'-N19 106.576 -1.53 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.4 " H2'" ' C6 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 O4'-C1'-N19 106.534 -1.582 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.4 ' C6 ' " H2'" ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C1'-N19 106.322 -1.848 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.594 0 O4'-C1'-C2' 107.618 1.38 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.422 -2.209 0 O3'-P-O5' 101.599 -1.264 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 C4'-C3'-C2' 105.105 1.905 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.456 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.115 0 O4'-C1'-N19 106.481 -1.648 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.507 ' CD2' ' N ' ' A' ' 14' ' ' HIS . 2.5 p80 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.474 ' H ' " H4'" ' C' ' 120' ' ' ' DG' . 8.9 tpp -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.61 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 HD23 ' A' ' 21' ' ' LEU . 15.8 mt -91.63 176.64 6.47 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.779 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.0 p -69.67 -159.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -57.39 -30.91 65.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.9 51.85 0.15 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.779 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.3 tt0 -62.41 -22.95 66.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.763 0.316 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -108.65 -21.91 12.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.94 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.778 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.3 ttp -65.84 -61.19 2.2 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.951 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.743 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -76.82 20.98 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.079 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.2 mm? -118.68 -39.79 2.95 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.8 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.872 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.3 pt -57.77 -46.63 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.184 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -83.34 -25.43 31.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 111.765 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -70.36 -39.12 74.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.396 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.81 -38.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.279 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.9 t -63.35 -41.77 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.54 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -77.26 2.61 15.1 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.771 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.06 -5.78 10.49 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.422 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -95.66 -109.64 0.14 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.26 102.85 11.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.224 0.535 . . . . 0.0 110.504 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.34 -38.17 88.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.564 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -77.02 -7.51 55.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -137.52 82.87 26.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.401 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.87 152.01 51.72 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.614 2.209 . . . . 0.0 112.226 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.6 m-85 -81.04 -163.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.919 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 42' ' ' GLU . 23.6 p -147.04 136.48 22.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' HA ' HD11 ' A' ' 43' ' ' ILE . 35.8 p-10 -25.37 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 O-C-N 123.385 0.428 . . . . 0.0 111.441 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 29.4 tp60 -64.4 -48.82 73.96 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.31 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 39' ' ' SER . 72.0 mm-40 -61.65 -56.1 23.44 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.401 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 40' ' ' ASP . 30.1 pt -56.1 -35.51 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.07 84.91 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.637 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.0 t-20 -67.7 -50.0 59.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.871 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.8 mt -64.29 -39.42 85.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.118 0.485 . . . . 0.0 110.355 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.6 mp -61.07 -24.06 65.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.839 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -84.19 -9.87 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.221 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -91.25 -10.81 40.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.1 mttt -102.56 -66.21 0.94 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.751 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.79 39.88 0.03 OUTLIER Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.526 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' A' ' 54' ' ' VAL . 69.9 m-85 -120.82 -14.66 8.49 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.508 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 23.97 41.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.931 0.77 . . . . 0.0 110.921 179.006 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.603 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.4 p -91.01 140.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.676 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.63 159.05 21.66 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -61.42 -24.07 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -66.77 -38.35 86.39 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.513 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 4.0 m -82.22 -42.18 19.29 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.28 0.562 . . . . 0.0 110.513 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.39 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.205 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.3 84.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.575 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.576 ' HZ3' ' H41' ' B' ' 107' ' ' ' DC' . 98.3 mttt -71.45 -14.41 62.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' OH ' ' P ' ' C' ' 120' ' ' ' DG' . 3.8 m-30 -93.25 -43.51 8.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.235 0.541 . . . . 0.0 110.85 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.514 HH12 HG21 ' A' ' 29' ' ' VAL . 13.6 mmm180 -59.87 -7.87 1.91 Allowed 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.228 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.51 9.71 12.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -119.09 -34.68 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.745 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.872 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -62.95 -78.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.776 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.23 -51.52 0.02 OUTLIER Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.291 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 71' ' ' SER . 3.4 mt -61.42 134.48 93.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.557 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.96 -56.95 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.181 1.92 . . . . 0.0 111.996 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 72' ' ' ARG . 35.0 p -152.74 11.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.026 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 68' ' ' ILE . 18.8 t 63.12 -7.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.541 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.4 ttt85 -88.22 -34.87 17.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.333 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.08 -41.63 81.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.91 -37.94 89.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -63.97 -45.7 87.94 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.421 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.666 -179.383 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.448 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-C2' 107.598 1.361 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.448 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.735 0 C1'-O4'-C4' 107.735 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.402 0 C1'-O4'-C4' 107.491 -1.578 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.462 ' H73' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 C4'-C3'-C2' 105.661 2.461 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C1'-N19 106.199 -2.001 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.008 0 O5'-C5'-C4' 111.906 1.218 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . 0.576 ' H41' ' HZ3' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.582 0 O4'-C1'-C2' 108.212 1.92 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.409 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.332 0 O4'-C1'-C2' 107.91 1.646 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.236 0 O5'-C5'-C4' 112.279 1.485 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.126 0 C4'-C3'-C2' 101.677 -1.523 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.454 0 O4'-C1'-C2' 108.083 1.803 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.431 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 C1'-O4'-C4' 107.488 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.431 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 O4'-C1'-N19 106.155 -2.056 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 0 O4'-C1'-N19 105.763 -2.546 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.03 0 O4'-C1'-C2' 108.166 1.878 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.606 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.274 0 O4'-C1'-C2' 107.8 1.545 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.611 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 O4'-C1'-C2' 107.834 1.576 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.611 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.939 0 C4'-C3'-C2' 104.75 1.55 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.532 ' H42' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.417 0 O4'-C1'-C2' 108.317 2.015 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.584 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C4'-C3' 108.017 2.417 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.403 ' H73' ' N ' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.525 1.746 0 O4'-C4'-C3' 107.974 2.374 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.429 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.41 -3.31 0 O4'-C1'-N19 106.175 -2.031 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.429 ' C6 ' " H2'" ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.202 0 O5'-C5'-C4' 112.577 1.698 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.403 " H2'" ' C8 ' ' C' ' 125' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 O4'-C1'-C2' 107.768 1.517 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . 0.403 ' C8 ' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O3'-P-O5' 101.248 -1.449 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.044 0 O3'-P-O5' 101.509 -1.311 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.085 0 O4'-C4'-C3' 108.307 2.707 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.327 0 C1'-O4'-C4' 107.354 -1.675 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' MET . 37.1 t-80 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' HIS . 98.2 mmm 38.02 40.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.753 HD12 HD23 ' A' ' 21' ' ' LEU . 18.1 mt -69.85 175.15 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.187 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.8 p -70.08 -155.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -59.99 -29.54 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.246 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.06 50.12 0.13 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.0 tt0 -60.52 -18.97 55.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.644 0.259 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.753 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -112.64 -22.88 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.731 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.8 ttp -64.26 -57.95 7.97 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.72 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttt -77.8 18.45 0.47 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -115.06 -43.94 3.06 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.074 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.887 HD11 HD13 ' A' ' 66' ' ' LEU . 2.6 pt -52.33 -50.11 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.603 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -82.55 -27.37 31.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.994 0.426 . . . . 0.0 111.763 -179.002 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.2 -38.76 75.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -87.91 -38.01 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.32 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.6 t -64.21 -42.44 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 81.1 mm-40 -74.5 -7.52 53.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.169 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.76 -12.16 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -92.96 -108.0 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.129 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -115.31 99.14 7.18 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.304 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.58 -37.19 85.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.127 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.3 4.07 2.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.404 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -155.78 77.48 4.62 Favored Pre-proline 0 CA--C 1.519 -0.223 0 CA-C-O 121.134 0.492 . . . . 0.0 109.833 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.38 153.46 70.45 Favored 'Trans proline' 0 C--N 1.296 -2.216 0 C-N-CA 123.205 2.603 . . . . 0.0 113.127 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 33.8 m-85 -86.15 169.32 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.283 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.592 ' O ' ' N ' ' A' ' 42' ' ' GLU . 80.3 p -118.19 137.52 52.94 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 40.5 p-10 -25.3 -47.61 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.13 0 O-C-N 123.613 0.571 . . . . 0.0 111.099 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 24.7 tp60 -63.75 -49.68 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.643 0.258 . . . . 0.0 111.57 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 39' ' ' SER . 98.4 mt-10 -64.34 -50.9 65.95 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.541 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.67 -39.85 72.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.764 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.69 81.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.968 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -67.84 -50.41 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.396 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 5.0 mt -64.47 -41.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.27 0.557 . . . . 0.0 110.15 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -59.15 -21.49 59.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.694 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -83.14 -12.5 56.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.407 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -90.63 -14.52 32.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 34.7 mmtt -94.15 -68.44 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.357 0.599 . . . . 0.0 110.126 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.32 45.67 0.03 OUTLIER Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 54' ' ' VAL . 57.3 m-85 -128.57 -13.8 4.76 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 19.57 46.83 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.85 0 O-C-N 123.922 0.764 . . . . 0.0 111.523 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.6 ' N ' ' O ' ' A' ' 52' ' ' PHE . 2.1 p -90.55 152.68 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.983 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -93.41 161.01 14.55 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.886 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.596 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 25.4 ttm180 -63.08 -24.96 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.457 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.738 ' N ' ' HE ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -66.04 -37.65 86.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.46 HG21 ' P ' ' C' ' 120' ' ' ' DG' . 2.4 m -84.43 -42.11 15.97 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 121.324 0.583 . . . . 0.0 110.308 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -33.01 56.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.528 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.1 57.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.697 ' NZ ' ' H41' ' B' ' 107' ' ' ' DC' . 98.9 mttt -93.32 -13.6 27.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.73 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -90.69 -44.96 9.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' CZ ' ' OP1' ' B' ' 104' ' ' ' DT' . 0.8 OUTLIER -61.41 -25.23 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.577 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -87.73 -20.86 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.0 ptm -89.67 -30.46 18.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.887 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -68.1 -72.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.611 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.76 37.59 0.04 OUTLIER Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -144.81 128.45 8.69 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.06 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.51 -51.3 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.013 1.809 . . . . 0.0 111.566 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' ' 72' ' ' ARG . 45.9 p -156.96 6.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.004 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.472 ' H ' HG23 ' A' ' 68' ' ' ILE . 0.9 OUTLIER 69.91 -26.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.742 -179.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' A' ' 70' ' ' SER . 53.0 ttt85 -69.35 -38.33 78.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.233 0.54 . . . . 0.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.928 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.459 HH11 HG12 ' A' ' 68' ' ' ILE . 84.5 mtp180 -62.42 -35.64 79.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.7 tmt_? -88.28 -72.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.901 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' ARG . 4.2 tp . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.382 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.472 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.472 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 C1'-O4'-C4' 107.387 -1.652 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 C1'-O4'-C4' 107.038 -1.901 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.512 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 C4'-C3'-C2' 104.832 1.632 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 O4'-C1'-N19 105.888 -2.391 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.509 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.0 0 O5'-C5'-C4' 111.88 1.2 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . 0.697 ' H41' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 O4'-C1'-C2' 108.175 1.886 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.411 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 P--O5' 1.614 2.11 0 O4'-C1'-C2' 108.344 2.04 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.454 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O5'-C5'-C4' 112.553 1.681 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.454 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.357 0 C4'-C3'-C2' 102.057 -1.143 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.53 0 O4'-C1'-C2' 108.023 1.748 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 C1'-O4'-C4' 107.831 -1.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 0 O4'-C1'-N19 106.081 -2.149 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.177 0 O4'-C1'-N19 105.842 -2.447 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.926 0 O4'-C1'-C2' 108.131 1.846 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.348 0 O4'-C1'-C2' 108.247 1.952 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.844 0 O4'-C1'-C2' 107.853 1.594 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.621 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 C4'-C3'-C2' 104.639 1.439 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.068 0 O4'-C1'-C2' 108.412 2.101 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.518 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 P--O5' 1.614 2.063 0 O4'-C1'-C2' 108.136 1.851 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C4'-C3' 108.158 2.558 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.638 0 O4'-C1'-C2' 107.78 1.527 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.403 " H2'" ' C6 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.821 0 O4'-C1'-C2' 107.846 1.588 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.403 ' C6 ' " H2'" ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.849 0 O4'-C1'-N19 106.221 -1.974 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.584 0 O4'-C1'-C2' 107.623 1.385 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.418 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.245 0 P-O3'-C3' 121.233 1.278 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.489 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 C4'-C3'-C2' 105.15 1.95 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.489 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.095 0 O4'-C1'-N19 106.558 -1.552 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.1 -39.51 93.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 21' ' ' LEU . 31.8 mt -103.99 178.41 4.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -76.41 -154.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.454 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.39 -27.33 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.97 49.98 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.346 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.6 tt0 -56.67 -19.7 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -110.24 -23.38 11.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.653 ' O ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -66.61 -48.95 67.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.57 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.787 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.0 pttm -90.37 20.67 4.32 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -123.24 -33.3 3.3 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.681 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -57.15 -47.77 83.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.071 -0.652 . . . . 0.0 110.603 -178.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -84.1 -23.11 30.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.255 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.47 -37.82 71.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.549 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp -89.65 -38.91 11.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.155 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 25' ' ' ILE . 70.6 t -63.85 -41.82 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.403 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CD ' ' HE ' ' A' ' 74' ' ' ARG . 79.9 mm-40 -79.21 -4.38 50.3 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.861 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -107.59 -10.42 15.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -92.3 -104.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -113.58 101.78 9.66 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.621 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -62.0 -37.93 86.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.489 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -73.86 -5.31 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.346 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -139.19 83.44 17.81 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.668 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.48 151.54 59.27 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.659 2.24 . . . . 0.0 112.295 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HD1' HG13 ' A' ' 29' ' ' VAL . 76.2 m-85 -91.16 167.2 12.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.412 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 41' ' ' GLN . 95.2 p -120.13 139.91 51.88 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.1 p-10 -23.05 -47.0 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 124.096 0.872 . . . . 0.0 110.925 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.557 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.4 tm0? -62.46 -66.65 0.51 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.222 0.534 . . . . 0.0 110.394 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 98.8 mt-10 -45.54 -54.64 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.372 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -55.89 -38.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.145 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.21 73.59 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.297 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.87 -50.49 28.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.553 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -64.74 -38.49 82.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -61.7 -33.2 73.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.794 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -74.63 -10.22 59.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.316 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -90.09 -18.42 25.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.814 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -90.59 -70.04 0.7 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.31 -178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.34 28.66 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.293 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' N ' ' A' ' 54' ' ' VAL . 67.8 m-85 -106.42 -19.07 13.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.277 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.21 38.4 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.692 0.758 . . . . 0.0 110.319 178.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 52' ' ' PHE . 8.0 p -89.22 145.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.962 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.76 161.17 20.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -63.54 -24.62 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.769 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HB3' ' H73' ' C' ' 121' ' ' ' DT' . 0.8 OUTLIER -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.88 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 ' HB ' ' CG2' ' A' ' 54' ' ' VAL . 1.5 m -80.82 -44.61 18.21 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.534 0.683 . . . . 0.0 110.303 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -30.04 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.761 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.93 -41.64 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.453 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.44 -37.74 80.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.6 m-30 -66.87 -52.37 44.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.797 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.663 HH21 ' CA ' ' A' ' 70' ' ' SER . 10.6 ptm85 -55.9 -5.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.537 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' OE1' ' O ' ' A' ' 69' ' ' PRO . 37.0 mm-40 -115.23 -1.71 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.099 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.678 ' HG2' HD12 ' A' ' 66' ' ' LEU . 10.4 ptm -102.97 -36.2 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 65' ' ' MET . 5.4 mp -57.48 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.62 30.89 0.03 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.063 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -124.68 125.51 25.5 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.422 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' O ' ' OE1' ' A' ' 64' ' ' GLU . 76.9 Cg_exo -49.37 -44.63 33.63 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.243 1.962 . . . . 0.0 111.421 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.671 ' C ' ' H ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 163.42 32.56 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.342 0.591 . . . . 0.0 111.912 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.447 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 9.4 t 57.7 -14.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.443 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 70' ' ' SER . 70.4 ttp85 -70.72 -42.92 69.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.381 0.61 . . . . 0.0 109.637 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -76.64 -36.29 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.093 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HE ' ' CD ' ' A' ' 30' ' ' GLU . 77.3 mtp85 -59.76 -33.13 71.26 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.776 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.24 -46.65 85.91 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.246 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.909 -179.116 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.449 ' H6 ' " O5'" ' B' ' 101' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.051 0 O4'-C1'-C2' 107.382 1.165 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C4 ' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-C2' 107.535 1.305 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C4 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 C4'-C3'-C2' 104.566 1.366 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.498 ' OP1' ' NE ' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.503 0 O4'-C4'-C3' 108.01 2.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 106.041 -2.199 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.994 0 O5'-C5'-C4' 111.883 1.202 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.475 0 O4'-C1'-C2' 108.28 1.982 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O4'-C1'-C2' 108.09 1.809 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.515 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O5'-C5'-C4' 112.344 1.531 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.515 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.303 0 C4'-C3'-C2' 102.075 -1.125 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.508 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 O4'-C1'-C2' 107.952 1.683 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.508 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.568 0 C1'-O4'-C4' 107.413 -1.634 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 0 O4'-C1'-N19 105.997 -2.254 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 O4'-C1'-N19 105.819 -2.476 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.028 0 O4'-C1'-C2' 108.264 1.968 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.148 0 O4'-C1'-C2' 108.219 1.927 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.594 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.123 0 O4'-C1'-N19 106.185 -2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.594 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.731 0 C4'-C3'-C2' 104.779 1.579 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.493 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.582 0 O4'-C1'-C2' 108.345 2.041 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.565 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.014 0 O4'-C4'-C3' 107.928 2.328 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.404 ' H73' ' HB3' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.342 0 C4'-C3'-C2' 104.924 1.724 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 O4'-C1'-N19 105.976 -2.28 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.469 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.143 0 O5'-C5'-C4' 112.295 1.496 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.469 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.499 0 O4'-C1'-C2' 107.802 1.547 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.65 0 O4'-C1'-C2' 107.7 1.455 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.52 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.424 -2.038 0 O3'-P-O5' 101.322 -1.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.52 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.108 0 O4'-C4'-C3' 108.198 2.598 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.413 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.408 -3.494 0 C1'-O4'-C4' 107.391 -1.649 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 57.0 p-80 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.476 ' SD ' ' OP1' ' C' ' 121' ' ' ' DT' . 12.2 ttm -60.74 -44.03 97.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.07 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 21' ' ' LEU . 16.6 mt -95.85 176.38 6.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' OE2' ' A' ' 20' ' ' GLU . 77.8 p -65.04 -161.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.579 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -57.72 -30.67 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.58 53.68 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.819 ' OE2' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -63.34 -31.14 72.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -101.3 -21.42 14.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.701 ' HG3' HD11 ' A' ' 66' ' ' LEU . 4.2 ttp -65.71 -50.47 64.75 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -91.37 18.77 6.73 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.837 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 20' ' ' GLU . 4.2 mm? -119.16 -33.84 4.03 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.387 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -54.13 -48.11 65.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.64 -178.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.671 ' H ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -81.23 -22.59 38.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.855 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 38.9 tt0 -68.82 -40.54 79.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.599 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -90.5 -38.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' ILE . 69.8 t -63.73 -38.21 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.316 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB3' ' HZ1' ' A' ' 34' ' ' LYS . 80.7 mm-40 -81.72 -5.71 58.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.75 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.81 -14.0 16.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.378 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.53 -105.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -118.22 100.16 7.33 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.182 0.515 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HZ1' ' HB3' ' A' ' 30' ' ' GLU . 67.2 mttm -61.77 -38.65 88.82 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.542 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.7 mtt180 -61.82 -32.07 72.35 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.462 0.648 . . . . 0.0 110.979 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -122.36 81.2 45.83 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.077 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.31 158.43 54.48 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.686 2.257 . . . . 0.0 112.782 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -90.03 169.75 10.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.589 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 41' ' ' GLN . 10.4 p -117.23 137.79 52.14 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.924 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 p-10 -18.77 -48.36 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.063 0.852 . . . . 0.0 111.265 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.596 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 tm0? -63.16 -67.23 0.44 Allowed 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.185 0.517 . . . . 0.0 110.198 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 99.2 mt-10 -44.82 -48.69 11.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.281 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -59.33 -38.8 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.6 76.36 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.417 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -70.89 -50.7 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.863 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.0 mt -64.23 -37.71 80.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.34 -25.16 66.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -82.93 -8.96 59.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.468 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -92.31 -13.09 30.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.113 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.597 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.0 mttt -98.56 -61.26 1.4 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.021 0.439 . . . . 0.0 110.613 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.54 32.64 0.02 OUTLIER Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.794 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' O ' ' C ' ' A' ' 53' ' ' LYS . 66.3 m-85 -112.09 -21.02 11.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.377 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 29.39 42.21 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.751 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.0 p -88.81 153.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.761 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -91.57 156.25 17.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.754 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.2 tmm_? -61.68 -24.93 67.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' NH2' ' OP2' ' C' ' 122' ' ' ' DG' . 0.5 OUTLIER -67.25 -36.39 81.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.568 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 2.5 m -83.03 -43.25 16.55 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.308 0.575 . . . . 0.0 110.491 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -64.72 -32.58 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.871 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.56 -39.35 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.267 0.556 . . . . 0.0 110.857 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.89 -37.33 70.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.003 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.49 -50.47 52.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.353 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.642 HH12 ' P ' ' B' ' 105' ' ' ' DG' . 0.7 OUTLIER -48.67 -19.26 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.332 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 1.5 tm-20 -101.98 -22.14 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.66 ' HG2' HD12 ' A' ' 66' ' ' LEU . 8.9 ptm -75.29 -39.3 59.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.741 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -62.32 -65.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.971 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 33.95 0.02 OUTLIER Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG23 ' CD ' ' A' ' 74' ' ' ARG . 1.7 mp -121.78 119.62 28.96 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.234 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.594 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 69.4 Cg_exo -48.52 -63.9 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.673 2.249 . . . . 0.0 111.972 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 71' ' ' SER . 77.9 p -154.05 2.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.719 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 70' ' ' SER . 2.7 p 83.36 -23.71 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.187 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' CG ' ' OG ' ' A' ' 70' ' ' SER . 15.5 ptt180 -87.58 -28.82 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.944 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.33 -36.4 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.286 0.565 . . . . 0.0 110.641 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' CD ' HG23 ' A' ' 68' ' ' ILE . 78.5 mtp85 -64.09 -38.32 90.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.729 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -64.17 -46.89 82.0 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.769 -179.29 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.543 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C1'-C2' 107.745 1.496 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.543 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.874 0 O4'-C1'-C2' 107.611 1.373 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 C1'-O4'-C4' 106.783 -2.084 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.471 ' OP1' ' O ' ' A' ' 70' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.323 0 C4'-C3'-C2' 105.695 2.495 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.642 ' P ' HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-N19 105.898 -2.377 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 0 O4'-C1'-N19 106.776 -1.279 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.595 0 O4'-C1'-C2' 108.154 1.868 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-C2' 107.803 1.548 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.6 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.444 0 O5'-C5'-C4' 112.398 1.57 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.6 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.293 0 C4'-C3'-C2' 101.705 -1.495 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.427 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 O4'-C1'-C2' 108.002 1.729 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.427 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.741 0 C1'-O4'-C4' 107.415 -1.632 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.4 ' H72' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.986 0 O4'-C1'-N19 105.978 -2.278 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O4'-C1'-N19 105.855 -2.432 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.295 0 O4'-C1'-C2' 108.002 1.73 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-C2' 108.113 1.83 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.072 0 O4'-C1'-N19 106.351 -1.811 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 C3'-C2'-C1' 104.717 1.441 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.435 ' H42' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-C2' 108.447 2.133 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.568 ' P ' ' CG2' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-C2' 108.429 2.117 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.476 ' OP1' ' SD ' ' A' ' 15' ' ' MET . . . . . . . . 0 O4'--C4' 1.426 -1.851 0 C4'-C3'-C2' 105.42 2.22 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.486 ' OP2' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.226 0 O4'-C1'-N19 106.443 -1.697 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.419 ' C6 ' " H2'" ' C' ' 122' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.229 0 O5'-C5'-C4' 112.518 1.656 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.756 0 O4'-C1'-N19 106.311 -1.861 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.583 0 O3'-P-O5' 101.353 -1.393 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.474 0 P-O3'-C3' 121.462 1.468 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 C4'-C3'-C2' 105.129 1.929 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.472 ' N6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.31 0 O4'-C1'-N19 106.158 -2.053 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.5 ttp -87.22 71.43 10.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD12 HD23 ' A' ' 21' ' ' LEU . 16.9 mt -55.52 178.59 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.948 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.728 HG23 ' OE2' ' A' ' 20' ' ' GLU . 66.9 p -74.88 -155.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.436 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -61.64 -26.91 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.97 49.88 0.12 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.728 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.0 tt0 -62.15 -17.23 57.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.465 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -115.92 -22.47 9.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.784 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 66' ' ' LEU . 1.7 ttp -63.85 -60.55 3.14 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.682 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.7 pttt -74.14 16.28 0.25 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -110.43 -50.27 2.98 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.999 HD11 HD13 ' A' ' 66' ' ' LEU . 1.4 pt -41.1 -54.82 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.726 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' H ' HG13 ' A' ' 25' ' ' ILE . 4.4 ptpt -78.26 -33.47 49.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.243 0.545 . . . . 0.0 111.637 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -70.18 -39.41 75.26 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.85 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -82.06 -35.27 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 O-C-N 123.295 0.372 . . . . 0.0 110.539 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 25' ' ' ILE . 56.4 t -71.26 -30.97 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-O 120.723 0.296 . . . . 0.0 110.404 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.89 -4.94 58.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.634 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -103.12 -17.09 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -88.97 -106.44 0.08 Allowed 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -118.72 98.41 6.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -61.27 -37.43 83.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 5.7 ptm180 -66.85 -3.83 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.718 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -157.64 80.53 3.24 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.113 0.482 . . . . 0.0 109.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.19 -172.72 0.14 Allowed 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.032 2.488 . . . . 0.0 112.6 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.9 m-85 -115.66 -170.56 1.8 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.409 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -133.34 135.23 44.65 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.587 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 2.8 p30 -21.33 -48.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 123.637 0.586 . . . . 0.0 111.258 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.9 tp60 -62.96 -53.26 56.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.404 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.7 mm-40 -61.33 -44.22 97.57 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.434 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.11 -40.82 84.5 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.718 -179.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.0 -33.33 75.57 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.161 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -69.15 -52.78 24.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.568 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.1 mt -63.39 -39.26 84.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.931 0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -61.5 -29.69 70.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.819 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -77.23 -10.59 59.51 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.819 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.92 -18.48 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.668 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.6 mmtt -90.78 -69.47 0.73 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 110.165 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.15 31.0 0.03 OUTLIER Glycine 0 N--CA 1.465 0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.307 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.586 ' O ' ' N ' ' A' ' 54' ' ' VAL . 62.9 m-85 -109.49 -17.09 13.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.651 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 29.28 36.1 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.849 0.833 . . . . 0.0 110.621 179.085 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 52' ' ' PHE . 7.4 p -86.54 149.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.556 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.49 163.23 13.13 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.329 0.585 . . . . 0.0 111.117 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.651 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 37.6 ttt-85 -62.83 -24.51 67.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.461 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' NE ' ' N7 ' ' C' ' 122' ' ' ' DG' . 45.7 mtt85 -63.98 -38.95 92.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.062 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.496 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 1.8 m -84.98 -44.61 12.94 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 121.105 0.478 . . . . 0.0 110.778 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -62.6 -28.44 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.046 -178.348 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.59 49.44 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.981 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -89.04 -21.13 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.4 m-30 -76.79 -34.74 57.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.589 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 12.5 ptp180 -67.59 -8.51 34.88 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.64 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.518 ' CG ' ' OP1' ' B' ' 105' ' ' ' DG' . 73.7 mm-40 -96.88 -23.01 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.966 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -89.37 -23.74 22.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.999 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -82.23 -72.99 0.41 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 162.17 43.87 0.02 OUTLIER Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 63' ' ' ARG . 2.5 mp -136.54 122.5 13.53 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.93 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.36 -55.83 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.343 2.028 . . . . 0.0 112.114 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' ' H ' ' A' ' 72' ' ' ARG . 41.6 p -154.77 8.58 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.091 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.26 -23.11 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' A' ' 70' ' ' SER . 76.8 ttt180 -70.81 -38.89 73.31 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.208 0.528 . . . . 0.0 110.112 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.74 -35.66 81.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.79 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 92.4 mtt-85 -61.89 -36.15 80.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.084 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.1 tmt_? -91.49 -75.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' ARG . 4.0 tp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.628 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.52 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C1'-C2' 107.277 1.07 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.52 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 C4'-C3'-C2' 104.872 1.672 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.402 0 O5'-C5'-C4' 112.268 1.477 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.651 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.411 0 C4'-C3'-C2' 105.262 2.062 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.518 ' OP1' ' CG ' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.695 0 O4'-C1'-C2' 108.278 1.98 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.527 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.126 0 O4'-C4'-C3' 106.672 1.072 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C1'-C2' 108.153 1.866 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.408 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-C2' 108.164 1.877 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.618 2.452 0 C4'-C3'-C2' 101.579 -1.621 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.085 0 C4'-C3'-C2' 101.75 -1.45 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.422 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-C2' 108.005 1.732 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.422 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.348 0 C1'-O4'-C4' 107.54 -1.543 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 C4'-C3'-C2' 105.438 2.238 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.038 0 O4'-C1'-N19 106.249 -1.939 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.739 0 O4'-C1'-C2' 107.925 1.66 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.506 -2.23 0 O4'-C1'-C2' 107.917 1.652 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-C2' 107.831 1.574 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.63 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 C4'-C3'-C2' 104.739 1.539 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.518 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.515 0 O4'-C1'-C2' 108.175 1.886 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.558 ' OP2' ' CE1' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 2.016 0 O4'-C4'-C3' 107.923 2.323 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.883 0 O4'-C4'-C3' 108.094 2.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.472 ' N7 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 106.702 -1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.736 0 C4'-C3'-C2' 105.015 1.815 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 0 O4'-C1'-C2' 107.568 1.335 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.101 0 O4'-C1'-C2' 107.83 1.572 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.57 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O3'-P-O5' 101.557 -1.286 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.57 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.597 0 C4'-C3'-C2' 105.572 2.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.406 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.888 0 C3'-C2'-C1' 104.525 1.304 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' A' ' 16' ' ' LEU . 11.2 t60 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' HIS . 66.0 mtt 35.15 27.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.727 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 HD23 ' A' ' 21' ' ' LEU . 25.7 mt -69.91 174.86 4.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.558 HG23 ' OE2' ' A' ' 20' ' ' GLU . 58.4 p -71.03 -155.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.579 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.43 -27.51 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.419 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.36 50.32 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.553 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.3 tt0 -60.05 -21.07 60.95 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.74 0.305 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 16' ' ' LEU . 1.3 pp -108.46 -21.36 12.77 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.689 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttp -67.29 -57.27 6.97 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.736 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.3 pttp -79.21 17.57 0.78 Allowed 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.736 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -117.56 -40.86 3.0 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -53.56 -50.21 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.192 -178.385 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -83.35 -26.99 30.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.906 -179.432 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -70.65 -38.86 73.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -86.32 -38.54 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.6 t -64.86 -34.83 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -83.64 -6.93 59.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.651 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -103.98 -10.31 18.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.544 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -92.81 -107.72 0.11 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.962 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -115.52 101.03 8.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.473 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.84 -37.95 88.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.747 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 89.7 mtt180 -65.64 -22.8 66.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.454 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.18 81.38 70.58 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.338 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.47 155.74 62.94 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.85 2.367 . . . . 0.0 112.917 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 43' ' ' ILE . 66.8 m-85 -86.76 -160.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.658 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 10.9 p -151.98 139.04 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.033 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.598 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.6 p30 -21.87 -54.57 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 O-C-N 123.943 0.777 . . . . 0.0 111.26 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.2 tm0? -60.55 -67.3 0.41 Allowed 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 121.115 0.484 . . . . 0.0 109.9 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 95.0 mt-10 -39.94 -60.94 0.93 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.378 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 40' ' ' ASP . 34.6 pt -53.9 -35.79 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.442 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' HB2' HG11 ' A' ' 59' ' ' VAL . . . -64.86 -35.13 80.13 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.402 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -70.94 -49.8 41.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.994 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.605 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.2 mt -64.17 -39.49 85.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.228 0.537 . . . . 0.0 110.262 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.9 mp -60.55 -27.58 67.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.861 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -77.79 -13.48 59.88 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -87.04 -18.73 29.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.7 mmtt -88.82 -69.65 0.69 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.347 0.594 . . . . 0.0 110.082 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 25.92 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.661 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' LYS . 63.9 m-85 -103.17 -23.72 13.62 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.014 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 30.98 43.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.701 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.76 144.44 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.15 158.43 26.33 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.725 ' NH1' ' H72' ' B' ' 104' ' ' ' DT' . 5.4 tmm_? -64.4 -21.38 66.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' NH1' ' OP2' ' C' ' 122' ' ' ' DG' . 8.2 mtt180 -66.99 -40.11 87.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.263 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -81.82 -42.69 19.31 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-O 121.271 0.558 . . . . 0.0 110.361 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.54 -33.95 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.684 -178.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.78 79.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.41 -37.77 77.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.422 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -66.39 -63.36 1.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.5 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.626 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -46.22 -26.66 0.83 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.073 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 84.1 tt0 -87.15 -21.04 26.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -87.97 -36.71 16.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.597 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.689 HD21 ' HG3' ' A' ' 22' ' ' MET . 2.0 mp -63.29 -74.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.581 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 167.41 41.79 0.02 OUTLIER Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.315 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.17 108.05 11.41 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.464 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.502 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 51.6 Cg_exo -51.9 -49.47 17.2 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.563 2.175 . . . . 0.0 111.887 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 72' ' ' ARG . 23.8 p -169.04 15.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.385 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t 57.79 -4.84 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.607 ' H ' ' C ' ' A' ' 70' ' ' SER . 74.7 ttt180 -88.16 -35.69 17.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.088 0.471 . . . . 0.0 110.413 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.52 -39.61 81.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.789 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 96.1 mtt180 -62.83 -38.19 89.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.667 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.0 ttt180 -67.29 -47.06 71.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.583 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.5 tp . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.641 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.522 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.019 0 O4'-C1'-C2' 107.888 1.625 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.522 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 C1'-O4'-C4' 107.625 -1.482 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 C1'-O4'-C4' 107.324 -1.697 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.725 ' H72' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.548 0 C4'-C3'-C2' 105.376 2.176 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.466 ' P ' ' NH1' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.62 2.689 0 O4'-C1'-N19 106.323 -1.846 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 0 O5'-C5'-C4' 112.074 1.339 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 O4'-C1'-C2' 108.068 1.789 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.074 0 O4'-C1'-C2' 108.07 1.791 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.513 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O5'-C5'-C4' 112.486 1.633 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.513 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.287 0 C4'-C3'-C2' 101.748 -1.452 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.516 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C1'-C2' 108.005 1.732 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.516 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.628 0 C1'-O4'-C4' 107.424 -1.626 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 C4'-C3'-C2' 105.287 2.087 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 O4'-C1'-N19 106.135 -2.081 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.995 0 O4'-C1'-C2' 108.002 1.729 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C1'-C2' 107.939 1.672 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.626 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.183 0 O3'-P-O5' 101.25 -1.447 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.626 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 C4'-C3'-C2' 104.907 1.707 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.463 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.456 0 O4'-C1'-C2' 108.418 2.107 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.557 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.526 1.926 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.885 0 O4'-C4'-C3' 108.113 2.513 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.561 ' OP2' ' NH1' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.65 0 O4'-C1'-N19 106.564 -1.545 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 0 C4'-C3'-C2' 104.896 1.696 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C1'-N19 106.589 -1.513 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.505 0 O3'-P-O5' 101.162 -1.494 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.361 0 O3'-P-O5' 101.539 -1.295 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 C4'-C3'-C2' 105.152 1.952 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.96 0 O4'-C1'-N19 106.515 -1.606 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 53' ' ' LYS . 92.5 m-70 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptp -122.46 69.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.697 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD12 HD23 ' A' ' 21' ' ' LEU . 22.4 mt -67.54 172.65 4.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 111.304 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' OE2' ' A' ' 20' ' ' GLU . 73.3 p -71.15 -155.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.675 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.52 -27.53 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.21 48.82 0.13 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 tt0 -58.61 -23.54 59.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -106.47 -23.69 12.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.739 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.3 ttp -64.69 -52.58 56.45 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.74 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.9 pttt -85.05 19.81 2.06 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.022 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -119.68 -36.4 3.33 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.85 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.873 HD11 HD13 ' A' ' 66' ' ' LEU . 4.3 pt -59.96 -44.85 95.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.779 -179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -83.37 -20.81 33.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.982 0.42 . . . . 0.0 111.277 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.93 -41.15 78.51 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.423 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -91.32 -40.1 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.368 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 25' ' ' ILE . 89.0 t -62.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' OE2' ' NH1' ' A' ' 74' ' ' ARG . 46.5 mm-40 -77.39 3.85 12.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.351 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.56 0.19 3.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.578 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -91.26 -107.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.682 0.277 . . . . 0.0 111.152 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -121.23 102.02 8.03 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.286 0.565 . . . . 0.0 110.721 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -59.96 -37.0 78.31 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.961 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -65.43 -33.9 77.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.56 79.83 54.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.324 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.23 167.96 24.71 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.737 2.291 . . . . 0.0 112.784 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -102.76 160.14 14.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 t -119.17 142.71 47.72 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.03 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' A' ' 39' ' ' SER . 34.2 p-10 -21.49 -48.87 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 124.175 0.922 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.56 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 2.1 tm0? -60.34 -68.01 0.34 Allowed 'General case' 0 N--CA 1.436 -1.154 0 CA-C-O 121.096 0.474 . . . . 0.0 109.951 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 97.2 mt-10 -46.26 -54.85 8.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.498 -178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.26 -39.26 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.39 72.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.487 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -71.78 -50.18 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.693 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 50' ' ' LYS . 3.2 mt -66.79 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.106 0.479 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.4 mp -60.46 -30.86 69.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.677 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -79.33 -7.89 58.67 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.271 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -91.95 -11.89 34.91 Favored 'General case' 0 CA--C 1.522 -0.104 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.96 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 46' ' ' ILE . 7.2 mttt -100.36 -62.15 1.28 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.496 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.78 31.08 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.372 -0.918 . . . . 0.0 111.688 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -108.74 -23.15 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.147 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER 29.72 42.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.835 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' PHE . 4.3 p -89.84 154.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -89.42 156.64 18.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.925 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' HH11 ' A' ' 57' ' ' ARG . 30.6 ttm180 -61.87 -25.49 67.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.697 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 11.0 mpt_? -66.31 -37.94 86.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.157 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.434 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.5 m -82.8 -41.7 18.8 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.327 0.584 . . . . 0.0 110.431 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.55 -33.15 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.544 -178.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.24 -42.7 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.908 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.82 -37.95 87.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.3 m-30 -65.28 -56.19 14.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.235 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.743 HH12 ' P ' ' B' ' 105' ' ' ' DG' . 0.1 OUTLIER -48.68 -28.24 3.42 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.227 -179.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 82.1 tt0 -85.84 -18.72 32.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.965 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' TYR . 5.9 ptm -91.29 -29.62 17.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.439 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.873 HD13 HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -72.75 -76.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.34 -59.23 0.03 OUTLIER Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.44 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.486 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mt -51.36 132.7 33.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.774 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.606 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.6 Cg_endo -71.63 -63.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.139 1.893 . . . . 0.0 111.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 72' ' ' ARG . 51.8 p -142.9 5.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 m 69.75 -13.02 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttp180 -85.5 -34.07 21.67 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.168 0.509 . . . . 0.0 110.333 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 18.2 mt-10 -65.79 -41.06 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.972 -178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.594 ' NH1' ' OE2' ' A' ' 30' ' ' GLU . 50.8 mtm180 -64.08 -39.34 93.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.661 -179.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -47.22 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.692 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.4 tp . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.672 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.546 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.121 0 O4'-C1'-C2' 107.635 1.396 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.546 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 O4'-C1'-C2' 107.609 1.372 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.206 0 C1'-O4'-C4' 107.029 -1.908 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.457 ' OP2' ' N ' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.416 -2.717 0 C4'-C3'-C2' 105.359 2.159 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.743 ' P ' HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 106.286 -1.892 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.442 ' N2 ' ' O2 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O5'-C5'-C4' 111.835 1.168 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 O4'-C1'-C2' 108.082 1.802 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.44 ' C2 ' ' N3 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.965 0 O4'-C1'-C2' 108.181 1.892 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.501 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O5'-C5'-C4' 112.549 1.678 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.583 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.195 0 C4'-C3'-C2' 101.601 -1.599 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.583 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.678 0 O4'-C1'-C2' 108.083 1.802 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.532 ' H72' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 C1'-O4'-C4' 107.48 -1.586 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.507 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 C4'-C3'-C2' 105.117 1.917 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.092 0 O4'-C1'-N19 106.147 -2.066 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.173 0 O4'-C1'-C2' 108.065 1.786 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.01 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.895 0 O4'-C1'-C2' 107.974 1.704 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 C4'-C3'-C2' 105.603 2.403 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.529 ' N4 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 P--O5' 1.618 2.477 0 O4'-C1'-C2' 108.865 2.514 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.552 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.22 0 O4'-C4'-C3' 107.605 2.005 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.506 ' OP1' ' ND1' ' A' ' 14' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.065 0 O4'-C4'-C3' 108.079 2.479 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.496 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.465 0 O4'-C1'-N19 106.567 -1.541 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.496 ' N4 ' ' C6 ' ' C' ' 122' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 C4'-C3'-C2' 104.873 1.673 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.442 ' O2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.604 0 O4'-C1'-N19 106.548 -1.565 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.959 0 O4'-C1'-C2' 107.806 1.551 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.602 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.28 0 P-O3'-C3' 121.331 1.359 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.602 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.89 0 C4'-C3'-C2' 104.982 1.782 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.514 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 106.434 -1.708 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 50.1 p-80 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.9 mmm -64.23 -39.37 93.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 21' ' ' LEU . 28.8 mt -103.12 177.82 4.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.246 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 ' OE1' ' A' ' 20' ' ' GLU . 49.8 p -75.46 -152.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.598 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -59.13 -30.07 67.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.374 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.7 47.99 0.11 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.616 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.8 tt0 -56.32 -17.23 7.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.775 0.321 . . . . 0.0 110.507 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -112.47 -25.19 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.012 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.811 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.02 -48.35 76.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.617 -179.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.684 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.4 pttp -85.92 14.53 5.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.366 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -113.18 -37.25 4.8 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.946 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 66' ' ' LEU . 2.3 pt -56.44 -48.03 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.972 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 3.0 ptpt -79.74 -31.77 41.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.12 0.486 . . . . 0.0 111.585 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -70.45 -38.89 74.57 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.825 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 24' ' ' LEU . 1.9 pp -83.87 -37.67 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.176 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.8 t -66.46 -34.76 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.457 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -83.55 -5.02 59.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.856 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.01 -12.18 16.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.198 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -96.3 -108.52 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -113.53 99.29 7.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.93 -37.25 86.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.421 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.588 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -70.31 -1.65 11.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.705 -179.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -150.25 76.31 8.57 Favored Pre-proline 0 CA--C 1.518 -0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 109.84 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.16 154.38 67.96 Favored 'Trans proline' 0 C--N 1.295 -2.258 0 C-N-CA 123.015 2.476 . . . . 0.0 112.729 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.475 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.6 m-85 -87.87 -177.11 5.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.154 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.573 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.3 t -131.97 140.67 49.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.682 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 41.0 p-10 -22.22 -48.24 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.104 0 O-C-N 123.894 0.747 . . . . 0.0 111.424 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.1 tp60 -62.42 -52.96 61.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.782 0.325 . . . . 0.0 111.648 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 42' ' ' GLU . 43.9 mp0 -63.35 -49.48 73.71 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.556 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -55.97 -41.52 68.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.47 75.86 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.026 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -68.14 -51.86 41.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.915 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.61 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.5 mt -64.32 -38.91 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.087 0.47 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.4 mp -61.27 -32.38 72.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.025 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -75.01 -10.89 59.9 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.496 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.54 -18.04 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.61 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.3 mmtt -91.41 -68.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.188 0.518 . . . . 0.0 110.131 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.34 29.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.47 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 54' ' ' VAL . 71.8 m-85 -106.74 -16.12 14.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.14 36.88 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.555 178.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 52' ' ' PHE . 12.4 p -88.83 141.53 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.93 163.96 16.09 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.919 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.554 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.5 ttm180 -64.21 -21.42 66.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.607 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.714 ' NE ' ' H41' ' C' ' 123' ' ' ' DC' . 76.8 mmt-85 -67.61 -40.47 84.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.074 -178.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.425 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.8 m -81.82 -43.63 18.02 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.397 0.618 . . . . 0.0 110.441 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.449 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -64.57 -32.04 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.034 -178.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.591 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -73.07 -21.07 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.097 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -97.22 -4.89 38.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.097 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -93.86 -55.45 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.591 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -42.83 -32.02 0.56 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.998 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -85.21 -24.43 27.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' TYR . 6.1 ptm -75.69 -38.41 58.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.811 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.5 OUTLIER -68.07 -72.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.31 32.81 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.226 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.2 mp -132.98 133.19 22.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.575 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 55.6 Cg_endo -72.15 -61.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.189 1.926 . . . . 0.0 111.761 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.7 p -147.95 5.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.876 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.496 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER 72.18 -25.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' H ' ' C ' ' A' ' 70' ' ' SER . 78.5 ttt180 -70.5 -38.01 74.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.214 0.531 . . . . 0.0 110.067 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -64.36 -38.27 90.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.918 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.496 ' HE ' ' HA ' ' A' ' 71' ' ' SER . 85.7 mtm180 -61.93 -35.75 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.588 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -86.58 -71.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.095 0.474 . . . . 0.0 111.113 -179.368 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 72' ' ' ARG . 10.2 tp . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.458 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.542 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-C2' 107.645 1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.542 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.608 0 O4'-C1'-C2' 107.561 1.328 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.298 0 C1'-O4'-C4' 106.94 -1.971 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.43 ' OP2' ' N ' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.421 -2.272 0 C4'-C3'-C2' 105.378 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.654 0 O4'-C1'-N19 105.857 -2.429 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.941 0 O4'-C1'-C2' 107.413 1.193 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.666 0 O4'-C1'-C2' 108.32 2.018 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.347 0 O4'-C1'-C2' 108.052 1.775 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.516 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.35 0 O5'-C5'-C4' 112.236 1.454 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.55 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.434 0 C4'-C3'-C2' 101.735 -1.465 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.55 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 108.042 1.766 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.533 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 C1'-O4'-C4' 107.941 -1.256 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.533 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 C4'-C3'-C2' 105.253 2.053 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 O4'-C1'-N19 106.069 -2.163 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.069 0 O4'-C1'-C2' 108.164 1.876 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.635 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.157 0 O4'-C1'-C2' 107.771 1.519 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.643 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.933 0 O4'-C1'-C2' 108.014 1.74 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.643 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.438 0 C4'-C3'-C2' 105.912 2.712 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.484 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.104 0 O4'-C1'-C2' 108.652 2.32 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.549 ' P ' ' HH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.53 2.36 0 O4'-C4'-C3' 107.622 2.022 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.405 ' H73' ' N ' ' A' ' 58' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C4'-C3' 108.239 2.639 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.434 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.855 0 O4'-C1'-N19 105.774 -2.533 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.714 ' H41' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.366 0 O5'-C5'-C4' 112.183 1.417 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.467 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 O4'-C1'-C2' 107.952 1.683 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O3'-P-O5' 101.365 -1.387 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.609 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.322 0 O4'-C1'-N19 106.643 -1.446 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.609 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 C4'-C3'-C2' 105.321 2.121 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.412 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 O4'-C1'-N19 106.267 -1.916 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' N ' ' ND1' ' A' ' 14' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 99.0 mtp 40.51 46.82 2.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 21' ' ' LEU . 15.2 mt -69.34 171.92 7.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -65.69 -159.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.16 -30.94 69.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.54 48.26 0.23 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.501 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.588 ' HB3' HD22 ' A' ' 16' ' ' LEU . 2.9 tt0 -61.62 -20.2 63.1 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.601 -0.352 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.16 -20.14 10.54 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.003 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.668 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.2 ttt -65.17 -63.92 0.99 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.298 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.811 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttp -74.27 27.17 0.08 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.531 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -124.05 -48.0 1.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.12 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 66' ' ' LEU . 1.1 pt -41.21 -54.53 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.874 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -81.15 -23.47 38.26 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.549 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.14 -39.82 71.75 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.161 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -88.41 -38.09 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.047 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 25' ' ' ILE . 71.8 t -64.16 -42.87 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.586 ' OE1' ' NH1' ' A' ' 74' ' ' ARG . 80.9 mm-40 -73.97 -5.41 41.12 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.56 -13.95 17.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.947 0.404 . . . . 0.0 110.878 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -96.21 -107.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.99 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -107.89 102.07 11.29 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.226 0.536 . . . . 0.0 110.633 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -37.61 87.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.818 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 52.3 mmt-85 -79.12 -2.87 42.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.497 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -140.21 83.18 15.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.766 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' SER . 59.7 Cg_endo -71.52 153.8 60.35 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.828 2.352 . . . . 0.0 112.937 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.5 m-85 -86.32 176.07 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.465 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 42' ' ' GLU . 25.1 p -122.66 138.83 54.48 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' OD2' ' NE ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -25.85 -45.41 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 O-C-N 123.683 0.614 . . . . 0.0 110.623 -178.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 28.9 tp60 -62.86 -50.17 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.1 mt-10 -66.73 -48.03 70.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.907 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.667 ' CD1' HH21 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -58.99 -40.4 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.514 -179.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.98 82.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.589 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.84 -50.08 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.269 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.624 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.8 mt -66.92 -39.12 82.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.222 0.534 . . . . 0.0 110.226 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.39 -30.73 69.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.74 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -76.48 -12.9 60.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -87.57 -19.41 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.786 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.624 ' HE3' HG22 ' A' ' 46' ' ' ILE . 30.4 mmtt -87.49 -69.15 0.71 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.377 0.608 . . . . 0.0 109.969 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.43 29.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.535 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' O ' ' N ' ' A' ' 54' ' ' VAL . 68.2 m-85 -106.65 -15.05 14.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.985 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 26.06 39.45 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.481 178.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.7 p -86.31 158.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.772 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -101.09 159.9 14.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.138 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -62.21 -26.81 68.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.595 ' HE ' ' H41' ' C' ' 123' ' ' ' DC' . 10.4 mpt_? -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.974 -178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.459 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.4 m -82.7 -42.53 17.96 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-O 121.533 0.682 . . . . 0.0 110.889 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -63.21 -37.61 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.865 -177.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 59' ' ' VAL . . . -66.6 -41.76 87.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.33 0.586 . . . . 0.0 110.566 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.62 -38.31 86.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.708 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.1 m-85 -66.87 -55.97 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.301 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.669 HH22 ' CB ' ' A' ' 71' ' ' SER . 2.0 ptp180 -46.26 -28.71 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.641 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -88.15 -24.51 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.528 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.605 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.2 ptm -79.02 -40.92 30.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.373 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 25' ' ' ILE . 3.5 mp -60.75 -74.12 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.492 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 171.61 41.36 0.04 OUTLIER Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.661 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.704 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.5 mp -135.48 114.51 11.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -51.8 -48.59 20.73 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -165.04 18.5 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.339 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.704 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 40.0 t 60.28 -8.85 0.06 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.848 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.6 ttp180 -92.62 -32.11 14.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.373 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 76' ' ' ILE . 23.8 mt-10 -77.85 -39.92 41.88 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.209 0.528 . . . . 0.0 111.582 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.586 ' NH1' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -60.21 -33.59 72.46 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.732 -179.019 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 3.1 ttt180 -64.14 -46.26 84.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.367 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.635 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.477 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.773 0 O4'-C1'-C2' 107.717 1.47 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.477 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.594 0 C1'-O4'-C4' 107.559 -1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.406 ' P ' ' HB3' ' A' ' 39' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.323 0 C1'-O4'-C4' 106.782 -2.084 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.436 ' OP2' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 C4'-C3'-C2' 105.015 1.815 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.757 0 O4'-C1'-N19 106.018 -2.228 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 0 O5'-C5'-C4' 111.928 1.234 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-C2' 107.993 1.721 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.9 0 O4'-C1'-C2' 108.033 1.757 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.495 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.224 0 O5'-C5'-C4' 112.436 1.597 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.523 ' N7 ' ' H73' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.264 0 C4'-C3'-C2' 101.796 -1.404 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.523 ' H73' ' N7 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 O4'-C1'-C2' 108.096 1.815 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.494 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 O4'-C1'-C2' 107.545 1.314 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.494 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 C4'-C3'-C2' 105.081 1.881 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.061 0 O4'-C1'-N19 105.871 -2.411 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.972 0 O4'-C1'-C2' 108.041 1.764 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.613 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.975 0 O4'-C1'-C2' 107.771 1.519 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.816 0 O4'-C1'-C2' 108.054 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.616 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.42 -2.355 0 O4'-C4'-C3' 108.317 2.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.512 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.147 0 O4'-C1'-C2' 108.639 2.309 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.574 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.527 1.992 0 O4'-C4'-C3' 107.556 1.956 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.695 0 O4'-C4'-C3' 108.127 2.527 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.463 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.573 0 O4'-C1'-C2' 107.606 1.369 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.595 ' H41' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -2.872 0 O4'-C1'-C2' 107.615 1.377 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.584 ' H41' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O5'-C5'-C4' 112.687 1.776 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.823 0 O3'-P-O5' 101.144 -1.503 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.505 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.422 -2.205 0 O3'-P-O5' 101.575 -1.277 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.52 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.706 0 C4'-C3'-C2' 105.279 2.079 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.52 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 O5'-C5'-C4' 112.201 1.43 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 14' ' ' HIS . 51.1 p-80 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.634 ' SD ' ' NZ ' ' A' ' 53' ' ' LYS . 66.4 mtt -64.53 -40.54 95.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 21' ' ' LEU . 19.9 mt -85.36 179.08 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.866 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.9 p -76.21 -155.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.472 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -62.92 -28.43 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.0 45.49 0.18 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.331 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.866 ' OE2' HG23 ' A' ' 17' ' ' THR . 3.4 tt0 -57.61 -20.42 32.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.835 0.35 . . . . 0.0 110.976 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG21 ' A' ' 54' ' ' VAL . 1.8 pp -110.56 -24.14 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.026 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.746 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.6 ttt -64.34 -52.86 56.31 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.98 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.757 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.4 pttt -85.24 21.12 1.77 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -121.14 -36.86 3.03 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.965 HD11 HD13 ' A' ' 66' ' ' LEU . 2.0 pt -50.58 -48.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.847 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' H ' HG13 ' A' ' 25' ' ' ILE . 11.3 pttt -83.06 -24.3 32.8 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.446 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -71.26 -38.51 71.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.385 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.6 pp -88.7 -38.73 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.3 t -63.41 -43.01 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.26 -4.11 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.933 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.03 -17.13 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.362 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -88.36 -106.27 0.08 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -116.52 101.47 8.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.615 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.96 -38.25 87.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.13 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.61 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 32.9 ptt-85 -69.65 -18.46 63.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.237 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.51 83.79 53.11 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.298 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.43 164.09 35.99 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 123.012 2.475 . . . . 0.0 112.609 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -97.9 164.89 12.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.277 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.6 p -110.99 139.15 46.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 6.0 p30 -21.43 -48.27 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.103 0 O-C-N 123.679 0.612 . . . . 0.0 111.193 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.588 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.5 tp60 -64.8 -50.16 67.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -64.45 -43.82 93.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.238 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -61.34 -40.47 86.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.66 -34.9 79.28 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.192 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -68.26 -49.84 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.035 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.627 HG22 ' CE ' ' A' ' 50' ' ' LYS . 4.4 mt -65.18 -39.51 85.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 0.0 109.958 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.7 mp -60.37 -27.35 67.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.613 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -82.16 -9.47 59.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.636 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.04 -13.17 33.73 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.009 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.627 ' CE ' HG22 ' A' ' 46' ' ' ILE . 8.2 mttt -99.2 -59.35 1.74 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 120.965 0.412 . . . . 0.0 110.605 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.82 32.22 0.02 OUTLIER Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.84 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' VAL . 81.3 m-85 -109.9 -20.11 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.634 ' NZ ' ' SD ' ' A' ' 15' ' ' MET . 0.5 OUTLIER 29.14 40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.676 HG21 HD22 ' A' ' 21' ' ' LEU . 7.6 p -91.73 137.41 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.112 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.543 ' H ' ' P ' ' C' ' 121' ' ' ' DT' . . . -75.1 158.58 32.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.233 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -64.16 -21.86 66.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.629 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' NE ' ' O6 ' ' B' ' 106' ' ' ' DG' . 2.4 tpt180 -68.39 -40.41 81.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.837 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.608 ' OG1' ' H71' ' C' ' 121' ' ' ' DT' . 2.1 m -79.5 -43.1 23.8 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.568 0.699 . . . . 0.0 109.842 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -32.93 60.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.331 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.619 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -72.07 -39.98 68.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.025 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -76.46 -16.54 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.235 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CZ ' ' OP2' ' C' ' 120' ' ' ' DG' . 3.1 m-30 -88.34 -52.3 5.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.619 ' NH1' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -49.12 -27.83 3.79 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.475 -179.565 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 79.3 tt0 -87.94 -20.89 25.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.636 ' HG2' HD12 ' A' ' 66' ' ' LEU . 6.3 ptm -84.1 -34.43 24.13 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.59 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.965 HD13 HD11 ' A' ' 25' ' ' ILE . 2.2 mp -69.9 -75.6 0.11 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 68' ' ' ILE . . . -179.51 42.22 0.08 OUTLIER Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 67' ' ' GLY . 3.4 mp -141.05 107.16 6.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.72 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.593 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 50.5 Cg_exo -53.0 -54.66 4.7 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.523 2.149 . . . . 0.0 111.917 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 72' ' ' ARG . 83.9 p -148.74 6.87 0.73 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 111.225 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.74 -9.51 0.34 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.666 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.533 ' H ' ' C ' ' A' ' 70' ' ' SER . 58.7 ttp180 -94.6 -30.23 14.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.908 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 2.9 pp20? -83.22 -35.44 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.763 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -58.67 -41.98 87.4 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.925 -179.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.61 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -62.33 -47.43 84.27 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.545 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' OXT' ' O ' ' A' ' 73' ' ' GLU . 9.1 tp . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.649 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.44 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C1'-C2' 107.629 1.39 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.44 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.484 0 C1'-O4'-C4' 107.503 -1.569 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 0 C1'-O4'-C4' 107.581 -1.514 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.463 ' OP1' ' O ' ' A' ' 70' ' ' SER . . . . . . . . 0 O4'--C4' 1.42 -2.367 0 C4'-C3'-C2' 105.781 2.581 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.463 ' OP1' ' OE2' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.724 0 O4'-C1'-N19 106.075 -2.156 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.543 ' O6 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.037 0 O5'-C5'-C4' 111.875 1.196 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 0 O4'-C1'-C2' 108.093 1.811 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.581 ' C2 ' ' C2 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.155 0 O4'-C1'-C2' 108.051 1.774 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.581 ' C2 ' ' C2 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.209 0 O5'-C5'-C4' 112.612 1.723 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.599 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.2 0 C4'-C3'-C2' 101.722 -1.478 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.469 ' C4 ' ' C4 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 O4'-C1'-C2' 107.958 1.689 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.571 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.905 0 C1'-O4'-C4' 108.073 -1.162 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.571 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.963 0 O4'-C1'-N19 106.201 -1.999 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.913 0 O4'-C1'-N19 106.104 -2.12 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.067 0 O4'-C1'-C2' 107.998 1.725 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.275 0 O4'-C1'-C2' 107.819 1.563 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.624 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.784 0 O4'-C1'-C2' 107.909 1.645 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.624 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.495 0 C4'-C3'-C2' 105.799 2.599 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.402 " C5'" ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-C2' 108.815 2.468 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.599 ' C2 ' ' C2 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.075 0 C4'-C3'-C2' 105.007 1.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.608 ' H71' ' OG1' ' A' ' 58' ' ' THR . . . . . . . . 0 O4'--C4' 1.419 -2.477 0 C4'-C3'-C2' 105.039 1.839 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O4'-C1'-N19 105.977 -2.278 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.444 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 P--O5' 1.616 2.314 0 O5'-C5'-C4' 112.339 1.528 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.444 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.62 0 O4'-C1'-C2' 107.782 1.529 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O3'-P-O5' 101.382 -1.378 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.094 0 O4'-C1'-N19 106.784 -1.271 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 O4'-C4'-C3' 108.102 2.502 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 0 C1'-O4'-C4' 107.587 -1.509 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.1 ttp 52.78 65.31 1.55 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.264 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.777 HD12 HD23 ' A' ' 21' ' ' LEU . 15.3 mt -59.15 176.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' OE1' ' A' ' 20' ' ' GLU . 80.4 p -68.12 -157.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.564 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -59.78 -28.83 67.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.297 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.23 49.84 0.13 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.614 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.5 tt0 -60.94 -21.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.777 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -111.95 -22.32 11.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.762 ' HG3' HD21 ' A' ' 66' ' ' LEU . 4.6 ttp -64.2 -59.13 4.79 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.025 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.738 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.2 pttt -76.73 19.45 0.28 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.156 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.738 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -116.02 -43.23 3.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.0 pt -55.04 -49.26 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.587 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -83.19 -25.11 32.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.024 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -71.29 -38.3 71.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.386 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.7 pp -88.4 -38.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' ILE . 67.3 t -63.97 -42.14 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.665 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.75 -0.06 22.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.836 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.74 -7.81 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.581 -0.448 . . . . 0.0 111.251 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -93.73 -109.59 0.12 Allowed 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.352 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -120.28 101.01 7.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.664 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.43 -37.5 81.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.272 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 99.3 mtt180 -60.57 -32.73 71.81 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.476 0.655 . . . . 0.0 110.569 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -120.69 78.65 30.12 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' O ' ' A' ' 71' ' ' SER . 62.0 Cg_endo -69.65 154.64 67.92 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.574 2.183 . . . . 0.0 113.024 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -88.66 166.81 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.484 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' C ' ' A' ' 40' ' ' ASP . 19.6 p -120.04 142.53 48.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.664 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.8 p-10 -24.71 -49.61 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 124.02 0.825 . . . . 0.0 111.097 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' CD ' ' N ' ' A' ' 42' ' ' GLU . 3.6 tm0? -59.59 -67.51 0.37 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.307 0.575 . . . . 0.0 109.947 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 79.6 mm-40 -42.88 -58.89 2.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.431 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -52.52 -38.52 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.8 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.43 74.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.199 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -72.46 -49.11 35.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.867 -179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.582 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -63.71 -40.37 88.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.04 -28.09 68.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -78.33 -12.33 60.0 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.72 -18.8 28.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.0 mmtt -89.53 -69.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 109.86 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.72 26.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.623 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 63.9 m-85 -103.59 -19.91 14.19 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.221 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 28.69 44.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.715 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 55' ' ' ALA . 2.4 p -89.66 157.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' N ' ' CG2' ' A' ' 54' ' ' VAL . . . -95.72 161.94 13.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.681 ' NH2' HH12 ' A' ' 57' ' ' ARG . 46.4 ttp180 -65.32 -23.32 66.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.206 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.681 HH12 ' NH2' ' A' ' 56' ' ' ARG . 9.6 mpt_? -67.03 -37.4 84.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.511 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.4 m -84.62 -42.09 15.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 110.475 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -63.85 -33.41 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.789 -178.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.05 -38.15 72.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.92 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' NZ ' ' N7 ' ' B' ' 106' ' ' ' DG' . 67.4 mttm -73.42 -37.83 65.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.371 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.606 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.9 m-30 -65.14 -48.25 74.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.877 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.623 ' HE ' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -68.55 -2.25 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.259 -179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -98.79 -24.5 14.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp -98.08 -29.74 13.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.841 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.69 -71.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.601 ' O ' ' NH2' ' A' ' 74' ' ' ARG . . . 169.39 45.44 0.03 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.518 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -148.08 127.32 6.34 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.579 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 63' ' ' ARG . 57.5 Cg_endo -72.22 -37.09 4.87 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.066 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 72' ' ' ARG . 47.5 p -175.24 6.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.621 179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 68' ' ' ILE . 16.8 p 65.18 -9.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.677 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.4 ttt180 -89.99 -34.2 16.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.408 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' ' OXT' ' A' ' 76' ' ' ILE . 21.2 mt-10 -71.59 -39.65 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.083 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 67' ' ' GLY . 95.3 mtt-85 -62.46 -38.46 89.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.423 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 1.4 ttt180 -65.89 -47.1 75.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.755 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' OXT' ' O ' ' A' ' 73' ' ' GLU . 10.5 tp . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.638 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.469 ' C5 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.142 0 O4'-C1'-C2' 107.836 1.578 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.469 ' C7 ' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 C1'-O4'-C4' 107.701 -1.428 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 0 C1'-O4'-C4' 106.923 -1.984 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.439 ' OP2' ' OD1' ' A' ' 40' ' ' ASP . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 C4'-C3'-C2' 104.851 1.651 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 0 O4'-C1'-N19 105.674 -2.657 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.448 ' N7 ' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.075 0 O4'-C1'-N19 106.809 -1.238 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C1'-C2' 108.169 1.881 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.426 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.203 0 O4'-C1'-C2' 108.283 1.984 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.553 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.116 0 O4'-C1'-N19 106.612 -1.485 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.553 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.275 0 C4'-C3'-C2' 101.745 -1.455 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C1'-C2' 108.092 1.811 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.424 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.592 0 C1'-O4'-C4' 107.521 -1.557 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.424 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-N19 106.117 -2.104 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 105.745 -2.569 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.221 0 O4'-C1'-C2' 108.194 1.903 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.578 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.187 0 O4'-C1'-C2' 107.989 1.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.601 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.893 0 O4'-C1'-C2' 107.69 1.445 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.601 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.894 0 C4'-C3'-C2' 104.566 1.366 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.524 ' H42' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 O4'-C1'-C2' 108.475 2.159 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.585 ' OP2' ' CZ ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C4'-C3' 107.635 2.035 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.759 0 O4'-C4'-C3' 108.364 2.764 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.411 ' O6 ' ' O6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.85 0 O4'-C1'-N19 106.407 -1.742 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 0 C4'-C3'-C2' 104.92 1.72 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.789 0 O4'-C1'-N19 106.446 -1.693 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.623 0 O4'-C1'-C2' 107.755 1.504 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.441 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.442 0 O3'-P-O5' 101.547 -1.291 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.532 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.873 0 C4'-C3'-C2' 105.007 1.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.532 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.238 0 O4'-C1'-N19 106.273 -1.909 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' LEU . 5.5 t60 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' HIS . 30.5 ttp 34.0 34.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.267 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.796 HD12 HD23 ' A' ' 21' ' ' LEU . 19.2 mt -74.26 170.93 14.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.306 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.8 p -64.77 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.518 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.93 -28.02 67.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.38 48.75 0.14 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.764 ' OE1' HG23 ' A' ' 17' ' ' THR . 3.1 tt0 -60.03 -18.38 45.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.646 0.26 . . . . 0.0 111.145 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.45 -20.23 10.33 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.985 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.733 ' HG3' HD21 ' A' ' 66' ' ' LEU . 3.8 ttp -67.43 -59.92 3.0 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.663 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.822 ' C ' HD22 ' A' ' 24' ' ' LEU . 2.8 pttm -77.72 27.72 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.24 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.822 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -125.92 -47.3 1.66 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.208 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.857 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.1 pt -46.23 -51.14 4.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.122 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -82.55 -25.42 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.9 pp -84.64 -38.3 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.817 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.1 t -64.29 -42.07 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.412 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 80.4 mm-40 -77.73 -5.4 50.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.357 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -103.05 -14.27 16.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.991 0.424 . . . . 0.0 110.809 -179.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -92.39 -103.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -115.71 101.01 8.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 30' ' ' GLU . 64.5 mttp -62.52 -38.55 90.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.363 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 13.8 mtp85 -72.06 -14.82 61.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.448 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.85 83.43 46.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.483 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.03 158.6 45.65 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.877 2.385 . . . . 0.0 112.593 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 17.1 m-85 -90.91 -170.92 2.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.375 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 42' ' ' GLU . 10.2 p -133.78 137.08 44.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 56' ' ' ARG . 38.8 p-10 -24.83 -44.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 123.319 0.387 . . . . 0.0 111.377 -179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.8 tp60 -66.53 -48.1 70.78 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.4 mm-40 -66.17 -41.77 89.88 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.324 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.33 -41.11 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.92 82.33 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.035 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.23 -49.95 62.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.168 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.626 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.26 -40.17 87.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.124 0.488 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -60.26 -29.5 68.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.817 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -77.31 -12.39 59.95 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.69 -19.04 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.626 ' HE3' HG22 ' A' ' 46' ' ' ILE . 32.0 mmtt -87.67 -69.4 0.69 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.436 0.636 . . . . 0.0 110.113 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 28.06 0.02 OUTLIER Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.3 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 71.2 m-85 -104.36 -22.16 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 30.62 41.26 0.01 OUTLIER 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.667 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 21' ' ' LEU . 6.8 p -91.19 139.8 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.749 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.59 157.64 30.2 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.394 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.633 ' NH2' ' C6 ' ' B' ' 104' ' ' ' DT' . 3.2 tmt_? -63.75 -19.95 65.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.663 ' HE ' ' H41' ' C' ' 123' ' ' ' DC' . 10.6 mpt_? -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -82.07 -42.53 19.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.322 0.582 . . . . 0.0 110.21 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -64.61 -34.09 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.029 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -69.96 -41.69 74.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.876 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.96 -38.25 82.56 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.0 m-30 -63.52 -51.36 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.907 -178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 6.5 ptp180 -48.22 -20.4 0.37 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.799 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 62' ' ' TYR . 80.2 tt0 -93.8 -22.12 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.632 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 66' ' ' LEU . 3.1 ppp? -83.01 -29.37 28.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.012 0.434 . . . . 0.0 110.505 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.857 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -75.55 -73.09 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.45 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.56 41.57 0.02 OUTLIER Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.371 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' H ' ' A' ' 71' ' ' SER . 2.7 mp -136.38 124.54 15.01 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.488 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.31 -39.66 3.68 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.088 1.858 . . . . 0.0 111.47 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 72' ' ' ARG . 43.3 p -169.75 10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.578 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.489 ' H ' ' CG2' ' A' ' 68' ' ' ILE . 11.8 p 64.85 -10.75 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' H ' ' C ' ' A' ' 70' ' ' SER . 80.7 ttt180 -85.63 -37.04 19.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.223 0.535 . . . . 0.0 110.074 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' OXT' ' A' ' 76' ' ' ILE . 24.1 mt-10 -70.34 -39.11 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.224 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.755 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 2.2 ttt180 -66.41 -46.69 75.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.63 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.3 tp . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.624 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.453 ' H6 ' " O5'" ' B' ' 101' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C1'-C2' 107.312 1.102 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.421 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.636 0 O4'-C1'-C2' 107.73 1.482 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.214 0 O5'-C5'-C4' 112.189 1.42 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.633 ' C6 ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 C4'-C3'-C2' 104.936 1.736 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.431 ' O6 ' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 105.997 -2.254 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.448 ' H8 ' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.971 0 O5'-C5'-C4' 111.915 1.225 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 O4'-C1'-C2' 108.18 1.891 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-C2' 108.072 1.793 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.53 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.452 0 O5'-C5'-C4' 112.552 1.68 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.53 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.339 0 C4'-C3'-C2' 101.768 -1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 O4'-C1'-C2' 108.125 1.841 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.502 0 C1'-O4'-C4' 107.52 -1.557 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.937 0 C4'-C3'-C2' 104.999 1.799 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.9 0 O4'-C1'-N19 105.919 -2.352 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.908 0 O4'-C1'-C2' 108.23 1.936 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.585 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-C2' 107.931 1.665 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 O3'-P-O5' 101.345 -1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.612 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.798 0 C3'-C2'-C1' 104.643 1.388 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.483 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.38 0 O4'-C1'-C2' 108.406 2.097 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.557 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C4'-C3' 107.612 2.012 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 108.165 2.565 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.437 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 O4'-C1'-C2' 107.786 1.533 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.663 ' H41' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.83 0 O4'-C1'-C2' 107.841 1.582 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.657 ' H41' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O5'-C5'-C4' 112.813 1.867 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.7 0 O3'-P-O5' 101.578 -1.275 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.279 0 O3'-P-O5' 101.384 -1.377 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 108.482 2.882 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.353 0 C1'-O4'-C4' 107.511 -1.564 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.9 m80 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.5 mtt -62.67 -42.03 99.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.115 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.764 HD12 HD23 ' A' ' 21' ' ' LEU . 22.5 mt -101.72 178.94 4.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.876 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.644 HG23 ' OE1' ' A' ' 20' ' ' GLU . 81.5 p -75.04 -159.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.685 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -33.9 61.01 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.33 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.06 51.27 0.17 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.644 ' OE1' HG23 ' A' ' 17' ' ' THR . 2.9 tt0 -60.72 -23.16 64.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.668 0.271 . . . . 0.0 110.984 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 16' ' ' LEU . 1.5 pp -109.4 -20.88 12.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.008 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.711 ' HG3' HD21 ' A' ' 66' ' ' LEU . 2.9 ttp -66.1 -58.56 5.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.218 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.73 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.0 pttp -79.39 20.82 0.52 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.044 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -118.23 -42.52 2.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.871 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.968 HD11 HD13 ' A' ' 66' ' ' LEU . 4.1 pt -53.66 -48.07 60.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.315 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -84.47 -27.45 27.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.885 0.374 . . . . 0.0 111.382 -179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 78.9 tt0 -71.52 -35.45 70.72 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.128 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -89.16 -39.02 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.3 t -64.62 -42.44 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' OE1' ' NH2' ' A' ' 74' ' ' ARG . 95.9 mt-10 -75.36 -5.73 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.145 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -106.12 -10.98 16.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.273 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -92.75 -109.7 0.11 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.967 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -115.59 100.9 8.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.455 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.0 -38.49 88.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.393 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 91.1 mtt-85 -62.25 -33.07 73.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 78.87 29.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.143 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.62 152.42 64.87 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.674 2.25 . . . . 0.0 112.835 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 38.7 m-85 -84.32 -177.06 6.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.591 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' GLU . 9.2 p -133.0 140.78 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.351 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' H ' ' NH1' ' A' ' 63' ' ' ARG . 37.5 p-10 -24.08 -48.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.152 0.283 . . . . 0.0 111.492 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.6 tp60 -63.08 -50.47 70.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.766 0.317 . . . . 0.0 111.298 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mp0 -64.59 -44.14 91.59 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.878 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.461 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.96 -41.36 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.29 80.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.967 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -66.32 -50.43 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.079 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.7 mt -65.4 -40.17 87.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.265 0.555 . . . . 0.0 110.19 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.1 mp -60.84 -27.93 68.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -79.21 -11.68 59.96 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.46 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.73 -19.25 27.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HE3' HG22 ' A' ' 46' ' ' ILE . 31.6 mmtt -89.16 -68.35 0.78 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.321 0.581 . . . . 0.0 110.007 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.25 31.11 0.02 OUTLIER Glycine 0 CA--C 1.521 0.423 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.094 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.615 ' O ' ' N ' ' A' ' 54' ' ' VAL . 64.9 m-85 -109.47 -12.73 14.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 21.22 43.85 0.0 OUTLIER 'General case' 0 C--N 1.339 0.135 0 O-C-N 123.983 0.802 . . . . 0.0 110.925 179.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.615 ' N ' ' O ' ' A' ' 52' ' ' PHE . 3.1 p -90.38 157.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.625 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -96.72 160.2 14.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.216 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 26.7 ttm180 -61.29 -24.79 66.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.751 ' NE ' ' H41' ' C' ' 123' ' ' ' DC' . 74.4 mmt-85 -66.46 -41.11 89.55 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.347 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.512 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.5 m -80.35 -42.75 22.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.53 0.681 . . . . 0.0 110.338 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -33.76 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.72 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.05 -41.38 74.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.65 ' NZ ' ' H41' ' B' ' 107' ' ' ' DC' . 98.1 mttt -68.14 -39.32 82.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.743 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.2 m-30 -65.38 -46.75 78.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.828 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.574 ' NH1' ' H ' ' A' ' 40' ' ' ASP . 15.6 ptm180 -67.75 -19.55 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.221 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' OE1' ' OP1' ' B' ' 105' ' ' ' DG' . 81.2 tt0 -86.56 -23.5 25.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.651 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ptm -96.8 -31.07 12.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.968 HD13 HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -61.85 -71.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 110.868 179.417 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.25 36.11 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.467 HG12 HH11 ' A' ' 74' ' ' ARG . 3.8 mp -135.87 127.52 17.31 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.647 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.71 -42.93 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.251 1.968 . . . . 0.0 111.76 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.588 ' C ' ' H ' ' A' ' 72' ' ' ARG . 21.1 p -172.13 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.346 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' NH2' ' A' ' 63' ' ' ARG . 2.5 m 61.06 -8.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 70' ' ' SER . 77.8 ttt180 -85.17 -37.55 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.218 0.532 . . . . 0.0 110.105 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ILE . 24.0 mt-10 -70.25 -39.68 74.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.196 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.479 ' NH2' ' OE1' ' A' ' 30' ' ' GLU . 83.1 mtp180 -62.83 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.449 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -64.26 -46.27 84.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.533 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' ' O ' ' A' ' 73' ' ' GLU . 8.9 tp . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.626 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.491 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-C2' 107.384 1.167 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.491 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.581 0 O4'-C1'-C2' 107.574 1.34 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.276 0 O5'-C5'-C4' 111.79 1.135 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.515 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.243 0 C4'-C3'-C2' 105.443 2.243 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.412 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C1'-N19 106.185 -2.019 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 0 O5'-C5'-C4' 111.891 1.208 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . 0.65 ' H41' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.629 0 O4'-C1'-C2' 108.347 2.043 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.455 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.042 0 O4'-C1'-C2' 108.052 1.774 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.534 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.617 2.416 0 O5'-C5'-C4' 112.386 1.562 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.534 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.231 0 C4'-C3'-C2' 101.766 -1.434 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.502 ' C7 ' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 108.127 1.843 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.662 ' C5 ' ' H73' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 C1'-O4'-C4' 107.992 -1.22 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.662 ' H73' ' C5 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 C4'-C3'-C2' 105.11 1.91 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O4'-C1'-N19 106.174 -2.032 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.818 0 O4'-C1'-C2' 108.012 1.738 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.618 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 P--O5' 1.612 1.865 0 O4'-C1'-C2' 107.676 1.433 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.634 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.803 0 O4'-C1'-C2' 107.994 1.722 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.634 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 C4'-C3'-C2' 106.007 2.807 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.488 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-C2' 108.931 2.574 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.529 2.292 0 O4'-C4'-C3' 107.558 1.958 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.197 0 O4'-C4'-C3' 108.203 2.603 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.418 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 O4'-C1'-N19 105.958 -2.302 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.751 ' H41' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 P--O5' 1.616 2.319 0 O5'-C5'-C4' 112.186 1.419 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.537 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.301 0 O4'-C1'-C2' 107.921 1.656 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.014 0 O3'-P-O5' 101.378 -1.38 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.216 0 O3'-P-O5' 101.493 -1.319 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.502 ' C6 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C4'-C3' 108.451 2.851 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.502 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.397 0 C1'-O4'-C4' 107.269 -1.736 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.7 mmm -63.99 -40.14 95.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.634 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.77 HD12 HD23 ' A' ' 21' ' ' LEU . 19.7 mt -96.5 176.69 5.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.106 0.479 . . . . 0.0 111.1 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' OE2' ' A' ' 20' ' ' GLU . 47.2 p -69.32 -153.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.44 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.533 HE21 ' NZ ' ' A' ' 23' ' ' LYS . 16.6 pt20 -60.41 -27.94 67.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.88 46.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.4 tt0 -54.68 -17.81 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 16' ' ' LEU . 1.6 pp -113.56 -25.55 8.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.37 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.818 ' HG3' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.65 -47.41 81.39 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.437 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' C ' HD22 ' A' ' 24' ' ' LEU . 3.7 pttt -88.62 19.75 3.79 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.1 mm? -120.29 -33.63 3.85 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.062 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.792 HD11 ' CD1' ' A' ' 66' ' ' LEU . 4.5 pt -62.68 -46.13 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.869 -0.733 . . . . 0.0 111.096 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -84.19 -23.56 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 111.392 -179.139 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -69.76 -39.45 76.71 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.557 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 pp -89.85 -38.14 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.0 t -63.31 -41.49 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.384 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.41 0.47 22.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.78 -0.23 11.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.97 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -100.35 -111.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -114.61 103.06 10.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.22 -39.53 90.61 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.262 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -70.33 -14.46 62.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.389 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -133.51 83.28 49.39 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.375 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' SER . 61.3 Cg_endo -71.97 155.29 57.65 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.92 2.413 . . . . 0.0 112.727 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.462 ' CB ' HG23 ' A' ' 43' ' ' ILE . 70.2 m-85 -88.66 161.72 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.319 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' GLU . 13.4 p -113.63 140.56 48.1 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 37.3 p-10 -27.29 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.784 0.678 . . . . 0.0 110.918 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.601 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 27.7 tp60 -62.3 -49.55 75.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 39' ' ' SER . 79.1 mm-40 -63.06 -56.35 17.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.631 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -53.26 -38.54 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.163 179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.099 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.89 -50.69 54.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.432 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.597 HG22 ' HE3' ' A' ' 50' ' ' LYS . 3.7 mt -64.67 -39.22 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 43' ' ' ILE . 3.8 mp -61.4 -31.11 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -77.3 -11.8 59.88 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.507 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -87.25 -19.17 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.721 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.597 ' HE3' HG22 ' A' ' 46' ' ' ILE . 28.6 mmtt -90.0 -70.15 0.68 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.098 0.475 . . . . 0.0 109.925 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.47 20.85 0.02 OUTLIER Glycine 0 N--CA 1.464 0.559 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.024 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' LYS . 70.9 m-85 -96.58 -19.18 19.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.376 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.7 ptmt 27.32 43.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.101 0 O-C-N 123.842 0.714 . . . . 0.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.566 HG22 ' N ' ' A' ' 55' ' ' ALA . 2.4 p -86.27 162.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.705 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.566 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.94 154.18 17.85 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.52 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.92 -31.74 70.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.701 ' HE ' ' N4 ' ' C' ' 123' ' ' ' DC' . 2.2 tpt85 -66.27 -35.61 80.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.635 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.567 ' CG2' ' P ' ' C' ' 120' ' ' ' DG' . 2.9 m -77.46 -44.68 28.11 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.579 0.704 . . . . 0.0 110.064 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -30.96 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.642 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 -27.1 60.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.768 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -89.54 -13.01 38.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CD2' HD11 ' A' ' 21' ' ' LEU . 2.5 m-30 -91.65 -43.05 9.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.966 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.606 HH22 ' P ' ' B' ' 105' ' ' ' DG' . 0.0 OUTLIER -52.57 -29.76 27.28 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.796 -179.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 42.6 tt0 -89.35 -24.62 21.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 62' ' ' TYR . 4.8 ptm -78.02 -21.73 50.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.774 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.818 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.6 OUTLIER -87.68 -64.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.964 0.411 . . . . 0.0 110.905 -179.423 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 170.08 32.3 0.02 OUTLIER Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.13 103.61 10.6 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 52.1 Cg_exo -52.21 -47.95 24.18 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.698 2.266 . . . . 0.0 111.686 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 72' ' ' ARG . 33.9 p -162.95 12.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.503 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 3.9 t 64.27 -9.44 0.16 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.815 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' H ' ' C ' ' A' ' 70' ' ' SER . 59.8 ttt85 -89.82 -34.57 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 76' ' ' ILE . 19.4 mt-10 -71.57 -39.4 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -62.65 -38.49 90.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.315 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -67.22 -45.68 76.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.687 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' O ' ' O ' ' A' ' 73' ' ' GLU . 7.5 tp . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.612 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.463 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.199 0 O4'-C1'-C2' 107.549 1.317 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.463 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 107.342 1.129 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 C1'-O4'-C4' 107.009 -1.922 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.421 " H3'" HH12 ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.705 0 C4'-C3'-C2' 105.735 2.535 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.641 ' C5 ' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.627 0 O4'-C1'-N19 106.137 -2.078 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.56 ' O6 ' ' NE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 O5'-C5'-C4' 111.667 1.048 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 O4'-C1'-C2' 107.907 1.642 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.462 0 O4'-C1'-C2' 108.031 1.755 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.523 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.241 0 C4'-C3'-C2' 101.296 -1.904 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.523 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.44 0 C4'-C3'-C2' 101.62 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.429 ' C5 ' ' H73' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.88 0 O4'-C1'-C2' 107.918 1.653 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.429 ' H73' ' C5 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.436 0 C1'-O4'-C4' 107.688 -1.437 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.129 0 C4'-C3'-C2' 105.329 2.129 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 0 O4'-C1'-N19 105.907 -2.366 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.852 0 O4'-C1'-C2' 107.939 1.672 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.405 " H2'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 P--O5' 1.614 2.132 0 O4'-C1'-C2' 108.171 1.883 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.61 ' C6 ' ' C6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.341 0 O4'-C1'-N19 106.422 -1.722 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.61 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.045 0 C4'-C3'-C2' 104.812 1.612 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.478 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.216 0 O4'-C1'-C2' 107.972 1.702 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.569 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 P--O5' 1.613 1.983 0 O4'-C4'-C3' 107.747 2.147 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.504 ' OP2' ' N ' ' A' ' 55' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -1.955 0 C4'-C3'-C2' 105.378 2.178 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.415 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.414 -2.881 0 O4'-C1'-N19 106.735 -1.332 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.701 ' N4 ' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.175 0 O5'-C5'-C4' 112.188 1.42 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.507 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-C2' 107.658 1.416 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 0 O3'-P-O5' 100.946 -1.607 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.415 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.281 0 O3'-P-O5' 101.321 -1.41 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.42 ' N1 ' ' C6 ' ' C' ' 128' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 C4'-C3'-C2' 105.394 2.194 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.434 ' C2 ' ' C2 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -2.998 0 O4'-C1'-N19 106.637 -1.454 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 17' ' ' THR . 11.6 t-80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 80.0 mtp -63.03 -41.12 99.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.263 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD12 HD23 ' A' ' 21' ' ' LEU . 16.7 mt -96.75 -178.56 4.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.598 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 65.5 p -75.15 -159.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -34.17 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.256 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -173.24 53.63 0.16 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.1 tt0 -61.67 -30.03 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 16' ' ' LEU . 1.4 pp -102.6 -20.96 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 66' ' ' LEU . 3.0 ttt -65.55 -51.37 60.34 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.95 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.765 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 pttt -89.39 19.88 4.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.649 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.3 mm? -119.89 -34.72 3.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -58.05 -48.75 83.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.289 -179.073 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -85.07 -22.52 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.587 -179.021 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 23' ' ' LYS . 75.9 tt0 -70.05 -38.93 75.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.233 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 29' ' ' VAL . 1.8 pp -90.07 -38.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 25' ' ' ILE . 53.9 t -65.0 -41.36 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.623 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 79.8 mm-40 -80.17 -4.99 55.27 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.011 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 0.6 OUTLIER -103.78 -13.23 16.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -90.87 -102.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -118.96 98.73 6.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 30' ' ' GLU . 67.8 mttm -61.03 -37.66 83.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.343 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.607 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 65.3 mtt180 -66.64 -20.01 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.468 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.8 83.71 52.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.71 153.7 59.38 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.894 2.396 . . . . 0.0 112.642 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 33.3 m-85 -83.11 -168.28 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 p -136.8 133.71 36.22 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 39.2 p-10 -22.18 -45.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.397 0.436 . . . . 0.0 111.054 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.586 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 37.5 tp60 -65.72 -50.45 64.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.49 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 80.0 mm-40 -63.78 -43.68 95.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.051 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.465 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.17 -41.5 86.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.11 72.63 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.38 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.27 -51.55 43.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.636 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.0 mt -65.21 -39.78 86.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.3 mp -60.91 -31.53 71.04 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.013 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -75.54 -12.29 60.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.381 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.68 -19.01 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.758 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.636 ' HE3' HG22 ' A' ' 46' ' ' ILE . 27.9 mmtt -89.14 -69.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.884 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.78 23.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.69 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 54' ' ' VAL . 70.7 m-85 -98.71 -18.05 18.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.355 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER 29.62 38.77 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.698 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.551 HG21 HD22 ' A' ' 21' ' ' LEU . 8.7 p -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.203 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.32 18.39 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O6 ' ' B' ' 105' ' ' ' DG' . 8.2 tmm_? -65.64 -24.21 66.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.387 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.745 ' HE ' ' N4 ' ' C' ' 123' ' ' ' DC' . 10.9 mmt180 -69.33 -36.33 76.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -80.86 -42.76 21.01 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.26 0.552 . . . . 0.0 110.269 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG11 ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -65.83 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.094 -178.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.547 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . -67.45 -37.85 83.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.522 . . . . 0.0 110.772 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.31 -36.14 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.806 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CD2' HD11 ' A' ' 21' ' ' LEU . 3.4 m-30 -68.61 -54.16 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.477 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' O ' ' A' ' 69' ' ' PRO . 0.8 OUTLIER -42.88 -27.42 0.18 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.487 ' OE2' ' OP1' ' B' ' 105' ' ' ' DG' . 79.7 tt0 -93.72 -22.52 18.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.738 ' HG2' HD12 ' A' ' 66' ' ' LEU . 7.8 ptm -76.01 -37.78 58.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.487 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.738 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mp -62.61 -71.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.35 -26.02 0.06 OUTLIER Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.453 -0.879 . . . . 0.0 111.225 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.9 mt -69.16 115.98 37.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.029 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.564 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 65.8 Cg_exo -50.87 -52.54 8.86 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.472 2.115 . . . . 0.0 111.991 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.605 ' C ' ' H ' ' A' ' 72' ' ' ARG . 40.6 p -173.65 10.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.593 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 m 65.4 -16.05 0.1 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.605 ' H ' ' C ' ' A' ' 70' ' ' SER . 45.9 ttm-85 -71.37 -43.41 66.95 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.764 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 1.8 pp20? -78.32 -33.2 49.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.207 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.38 -41.39 96.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.607 ' NE ' ' O ' ' A' ' 35' ' ' ARG . 3.3 ttt180 -65.2 -46.02 82.39 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.619 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.1 tp . . . . . 0 C--N 1.32 -0.714 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.52 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.523 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C1'-C2' 107.488 1.262 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.523 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 107.502 1.274 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.538 " O4'" ' NH2' ' A' ' 72' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.372 0 C1'-O4'-C4' 106.306 -2.425 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.509 ' OP1' ' NE ' ' A' ' 63' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.52 0 C4'-C3'-C2' 105.614 2.414 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.694 ' C6 ' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.472 0 O4'-C1'-C2' 108.326 2.023 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.578 ' C6 ' ' C4 ' ' B' ' 107' ' ' ' DC' . . . . . . . . 0 P--O5' 1.612 1.864 0 C4'-C3'-C2' 101.864 -1.336 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . 0.578 ' C4 ' ' C6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.776 0 O4'-C1'-C2' 107.788 1.534 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.162 0 O4'-C1'-C2' 108.008 1.734 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.528 ' N4 ' ' O6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.613 1.981 0 C4'-C3'-C2' 101.313 -1.887 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.528 ' O6 ' ' N4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.257 0 C4'-C3'-C2' 101.481 -1.719 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.468 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.505 0 O4'-C1'-C2' 108.237 1.942 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.493 " H2'" ' H71' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 C1'-O4'-C4' 107.297 -1.717 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.493 ' H71' " H2'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.774 0 C4'-C3'-C2' 105.113 1.913 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 O4'-C1'-N19 106.007 -2.241 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.802 0 O4'-C1'-C2' 107.9 1.637 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.582 ' C6 ' ' C6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.922 0 O4'-C1'-C2' 107.867 1.606 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.624 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.945 0 O4'-C1'-C2' 107.855 1.595 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.624 ' N6 ' ' N6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.871 0 C4'-C3'-C2' 104.597 1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.51 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.262 0 O4'-C1'-C2' 108.124 1.84 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.534 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.525 1.732 0 O4'-C4'-C3' 107.848 2.248 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.848 0 O4'-C4'-C3' 107.894 2.294 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.632 ' C6 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.706 0 O4'-C1'-N19 106.396 -1.755 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.745 ' N4 ' ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.684 0 C4'-C3'-C2' 105.121 1.921 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.616 ' H42' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.265 0 O4'-C1'-C2' 107.727 1.479 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.11 0 O3'-P-O5' 101.24 -1.453 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.48 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.421 -2.244 0 O3'-P-O5' 101.548 -1.29 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.48 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.87 0 C4'-C3'-C2' 105.12 1.92 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.466 ' C6 ' ' N1 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.17 0 O4'-C1'-N19 106.654 -1.432 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' CE ' ' A' ' 53' ' ' LYS . 12.4 t60 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' HIS . 77.9 mtm 36.03 40.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.752 HD12 HD23 ' A' ' 21' ' ' LEU . 14.6 mt -71.37 174.89 5.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' OE2' ' A' ' 20' ' ' GLU . 60.1 p -68.14 -156.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.317 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -61.78 -29.47 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . -173.18 49.41 0.16 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.631 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.1 tt0 -60.81 -19.34 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.768 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.752 HD23 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -115.98 -21.9 9.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.777 ' HG3' HD21 ' A' ' 66' ' ' LEU . 1.2 ttp -63.75 -61.27 2.41 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.368 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.827 ' C ' HD22 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -75.62 23.7 0.12 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.827 HD22 ' C ' ' A' ' 23' ' ' LYS . 4.0 mm? -121.22 -45.78 2.33 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 66' ' ' LEU . 3.2 pt -51.24 -51.56 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.728 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' H ' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -83.13 -27.19 30.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.973 0.416 . . . . 0.0 111.553 -178.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' OE1' ' O ' ' A' ' 23' ' ' LYS . 81.6 tt0 -71.28 -37.79 71.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 1.8 pp -87.73 -36.53 9.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.356 0.41 . . . . 0.0 110.658 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 25' ' ' ILE . 55.7 t -66.14 -41.6 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.27 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.12 -4.68 42.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.198 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -13.9 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.024 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -92.04 -105.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.002 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -115.63 99.96 7.71 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.59 -35.14 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.446 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -77.21 10.03 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.346 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -156.83 74.91 4.51 Favored Pre-proline 0 CA--C 1.521 -0.162 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -61.66 153.06 69.79 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 C-N-CA 123.082 2.521 . . . . 0.0 112.827 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 21.1 m-85 -86.9 170.75 11.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 110.658 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.623 ' O ' ' N ' ' A' ' 42' ' ' GLU . 6.7 p -116.71 133.52 55.92 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 41' ' ' GLN . 35.9 p-10 -24.38 -47.43 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.348 0 O-C-N 123.856 0.723 . . . . 0.0 110.822 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 25.3 tp60 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 111.266 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.623 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.8 mt-10 -62.53 -52.19 64.43 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.462 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -56.37 -38.5 55.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.711 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.79 72.2 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.181 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.91 -51.78 24.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.384 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.606 HG22 ' HE3' ' A' ' 50' ' ' LYS . 4.5 mt -62.73 -39.54 85.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.249 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 43' ' ' ILE . 4.0 mp -61.01 -27.99 68.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -78.99 -10.86 59.95 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.481 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.11 -18.34 27.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.606 ' HE3' HG22 ' A' ' 46' ' ' ILE . 29.1 mmtt -90.3 -70.1 0.69 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 110.07 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.3 26.13 0.03 OUTLIER Glycine 0 N--CA 1.466 0.658 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.574 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 20' ' ' GLU . 58.6 m-85 -103.74 -23.5 13.42 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' CE ' ' CG ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 30.62 41.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.237 0.541 . . . . 0.0 110.676 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' ALA . 3.2 p -86.69 159.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.414 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 54' ' ' VAL . . . -97.62 160.17 14.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.558 . . . . 0.0 111.181 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.583 ' NH2' ' OE1' ' A' ' 41' ' ' GLN . 24.1 ttm180 -62.86 -24.58 67.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.45 ' CG2' ' OP2' ' C' ' 120' ' ' ' DG' . 2.1 m -82.65 -43.07 17.38 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.176 0.512 . . . . 0.0 110.542 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -32.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.775 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 63' ' ' ARG . . . -73.62 -40.37 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.081 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -72.09 -34.57 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 65' ' ' MET . 2.7 m-30 -65.92 -56.39 12.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.581 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' CZ ' ' OP1' ' B' ' 104' ' ' ' DT' . 1.3 ptp85 -39.89 -31.71 0.13 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.015 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 63' ' ' ARG . 83.7 tt0 -85.22 -27.71 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.585 ' N ' ' O ' ' A' ' 62' ' ' TYR . 7.5 ptm -74.58 -35.78 63.03 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.627 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.84 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -68.13 -70.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.599 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.22 -57.87 0.06 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' O ' ' A' ' 63' ' ' ARG . 3.3 mt -50.21 133.59 23.88 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.685 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 -58.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.372 2.048 . . . . 0.0 111.975 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 72' ' ' ARG . 53.6 p -147.96 5.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.912 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.459 ' H ' HG22 ' A' ' 68' ' ' ILE . 1.7 p 69.6 -20.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.672 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' A' ' 70' ' ' SER . 60.9 ttp180 -75.6 -36.59 60.26 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.113 0.483 . . . . 0.0 110.152 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 15.2 mt-10 -64.75 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.816 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HE ' HG23 ' A' ' 68' ' ' ILE . 95.2 mtt-85 -62.95 -36.61 84.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.202 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -86.11 -73.16 0.46 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.586 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.6 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.518 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DT' . . . . . 0.485 ' C5 ' ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.368 0 O4'-C1'-C2' 107.384 1.167 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.485 ' H73' ' C5 ' ' B' ' 101' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.381 0 O4'-C1'-C2' 107.637 1.397 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.236 0 C1'-O4'-C4' 107.304 -1.711 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.534 ' OP1' ' CZ ' ' A' ' 63' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.496 0 C4'-C3'-C2' 105.366 2.166 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.452 ' OP1' ' OE1' ' A' ' 64' ' ' GLU . . . . . . . . 0 O4'--C4' 1.418 -2.548 0 O4'-C1'-C2' 107.99 1.718 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.963 0 O3'-P-O5' 102.067 -1.017 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 108.116 1.832 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.425 " H2'" ' C6 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.953 0 O4'-C1'-C2' 108.034 1.759 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DC' . . . . . 0.547 ' C4 ' ' C6 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 P--O5' 1.614 2.051 0 C4'-C3'-C2' 101.268 -1.932 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DG' . . . . . 0.547 ' C6 ' ' C4 ' ' B' ' 109' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -1.982 0 C4'-C3'-C2' 101.491 -1.709 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.447 ' H71' ' C8 ' ' B' ' 110' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 O4'-C1'-C2' 108.175 1.887 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.416 ' C6 ' ' H72' ' B' ' 113' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.42 -2.351 0 C1'-O4'-C4' 107.262 -1.742 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ' DT' . . . . . 0.416 ' H72' ' C6 ' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 C4'-C3'-C2' 105.324 2.124 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 O4'-C1'-N19 106.232 -1.96 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.771 0 O4'-C1'-C2' 107.646 1.406 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 0 O4'-C1'-C2' 108.054 1.776 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.638 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.295 0 O4'-C1'-N19 106.536 -1.58 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.638 ' N6 ' ' N6 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 C4'-C3'-C2' 104.768 1.568 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DC' . . . . . 0.511 ' N4 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.43 0 O4'-C1'-C2' 108.144 1.858 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' P ' ' OH ' ' A' ' 62' ' ' TYR . . . . . . . . 0 C5'--C4' 1.526 1.875 0 O4'-C4'-C3' 107.568 1.968 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.764 0 O4'-C4'-C3' 108.118 2.518 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.457 " H2'" ' C6 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C1'-N19 106.423 -1.721 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DC' . . . . . 0.484 ' N4 ' ' N4 ' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 P--O5' 1.613 2.01 0 C4'-C3'-C2' 101.777 -1.423 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.484 ' N4 ' ' N4 ' ' C' ' 123' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 O4'-C1'-C2' 107.765 1.514 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.171 0 O3'-P-O5' 101.095 -1.529 . . . . 25.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . 0.562 ' N6 ' ' N6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.213 0 O3'-P-O5' 101.493 -1.319 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' ' DA' . . . . . 0.562 ' N6 ' ' N6 ' ' C' ' 126' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.089 0 O4'-C4'-C3' 108.427 2.827 . . . . 25.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' ' DA' . . . . . 0.51 ' C6 ' ' C6 ' ' C' ' 127' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.079 0 C1'-O4'-C4' 107.135 -1.832 . . . . 25.0 . . . . . . . . . . 1 1 . 1 stop_ save_